13-cyclohexyl-10-methoxycarbonyl-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid

Systemtic Name: 13-cyclohexyl-10-methoxycarbonyl-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid Openeye Name: 3-benzyloxy-13-cyclohexyl-10-methoxycarbonyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid CAS Name: 13-cyclohexyl-10-methoxycarbonyl-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid IUPAC Name: 13-cyclohexyl-10-methoxycarbonyl-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid Traditional Name: 3-benzoxy-10-carbomethoxy-13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid Formula: C33H31NO5 MolecularWeight: 521.60294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C3N2CC(=CC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)O)C6CCCCC6

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=C3N2CC(=CC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)O)C6CCCCC6

InChI

InChI=1S/C33H31NO5/c1-38-33(37)23-12-14-28-29(18-23)34-19-25(32(35)36)16-24-17-26(39-20-21-8-4-2-5-9-21)13-15-27(24)31(34)30(28)22-10-6-3-7-11-22/h2,4-5,8-9,12-18,22H,3,6-7,10-11,19-20H2,1H3,(H,35,36)