1-[(13-cyclohexyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-10-yl)carbonyl-methyl-amino]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[(13-cyclohexyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-10-yl)carbonyl-methyl-amino]cyclopentane-1-carboxylic acid Openeye Name: 1-[(13-cyclohexyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carbonyl)-methyl-amino]cyclopentanecarboxylic acid CAS Name: 1-[[(13-cyclohexyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-10-yl)-oxomethyl]-methylamino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[(13-cyclohexyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carbonyl)-methylamino]cyclopentane-1-carboxylic acid Traditional Name: 1-[(13-cyclohexyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carbonyl)-methyl-amino]cyclopentanecarboxylic acid Formula: C31H36N2O3 MolecularWeight: 484.62914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC2=C(C=C1)C(=C3N2CCCC4=CC=CC=C43)C5CCCCC5)C6(CCCC6)C(=O)O

Isomeric SMILES

CN(C(=O)C1=CC2=C(C=C1)C(=C3N2CCCC4=CC=CC=C43)C5CCCCC5)C6(CCCC6)C(=O)O

InChI

InChI=1S/C31H36N2O3/c1-32(31(30(35)36)17-7-8-18-31)29(34)23-15-16-25-26(20-23)33-19-9-13-21-10-5-6-14-24(21)28(33)27(25)22-11-3-2-4-12-22/h5-6,10,14-16,20,22H,2-4,7-9,11-13,17-19H2,1H3,(H,35,36)