13-cyclohexyl-10-methoxycarbonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carboxylic acid

Systemtic Name: 13-cyclohexyl-10-methoxycarbonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carboxylic acid Openeye Name: 13-cyclohexyl-10-methoxycarbonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carboxylic acid CAS Name: 13-cyclohexyl-10-methoxycarbonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carboxylic acid IUPAC Name: 13-cyclohexyl-10-methoxycarbonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carboxylic acid Traditional Name: 10-carbomethoxy-13-cyclohexyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carboxylic acid Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C3N2CC(CC4=CC=CC=C43)C(=O)O)C5CCCCC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=C3N2CC(CC4=CC=CC=C43)C(=O)O)C5CCCCC5

InChI

InChI=1S/C26H27NO4/c1-31-26(30)18-11-12-21-22(14-18)27-15-19(25(28)29)13-17-9-5-6-10-20(17)24(27)23(21)16-7-3-2-4-8-16/h5-6,9-12,14,16,19H,2-4,7-8,13,15H2,1H3,(H,28,29)