N-[(4S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide (Q27203095)

MLS001179013 (English)

11 October 2016

chemical formula

C₁₇H₂₃NO

1 reference

MLS001179013 (English)

11 October 2016

canonical SMILES

CC1C2CC(C2(C)C)CC1NC(=O)C3=CC=CC=C3

1 reference

MLS001179013 (English)

11 October 2016

isomeric SMILES

C[C@H]1C2CC(C2(C)C)CC1NC(=O)C3=CC=CC=C3

1 reference

MLS001179013 (English)

InChI=1S/C17H23NO/c1-11-14-9-13(17(14,2)3)10-15(11)18-16(19)12-7-5-4-6-8-12/h4-8,11,13-15H,9-10H2,1-3H3,(H,18,19)/t11-,13?,14?,15?/m0/s1

11 October 2016

Identifiers

InChI

1 reference

MLS001179013 (English)

UYWLHAPTZKHACA-WXPVAWKNSA-N

11 October 2016

InChIKey

2 references

MLS001179013 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-[(2S)-2,6,6-Trimethylbicyclo[3.1.1]hept-3-yl]benzamide (English)

11 October 2016

2 references

MLS001179013 (English)

matched by identifier from

11 October 2016

InChIKey

UYWLHAPTZKHACA-WXPVAWKNSA-N

ChEBI ID

116873

mapping relation type

2 references

N-[(4S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C17H23NO/c1-11-14-9-13(17(14,2)3)10-15(11)18-16(19)12-7-5-4-6-8-12/h4-8,11,13-15H,9-10H2,1-3H3,(H,18,19)/t11-,13?,14?,15?/m0/s1

1 reference