1-[(13-cyclohexyl-7H-indolo[2,1-a][2]benzazepin-10-yl)carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(13-cyclohexyl-7H-indolo[2,1-a][2]benzazepin-10-yl)carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[(13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-10-carbonyl)amino]cyclohexanecarboxylic acid CAS Name: 1-[[(13-cyclohexyl-7H-indolo[2,1-a][2]benzazepin-10-yl)-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-10-carbonyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[(13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-10-carbonyl)amino]cyclohexanecarboxylic acid Formula: C31H34N2O3 MolecularWeight: 482.61326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C4=CC=CC=C4C=CCN3C5=C2C=CC(=C5)C(=O)NC6(CCCCC6)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=C3C4=CC=CC=C4C=CCN3C5=C2C=CC(=C5)C(=O)NC6(CCCCC6)C(=O)O

InChI

InChI=1S/C31H34N2O3/c34-29(32-31(30(35)36)17-7-2-8-18-31)23-15-16-25-26(20-23)33-19-9-13-21-10-5-6-14-24(21)28(33)27(25)22-11-3-1-4-12-22/h5-6,9-10,13-16,20,22H,1-4,7-8,11-12,17-19H2,(H,32,34)(H,35,36)