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

Systemtic Name: 13-cyclohexyl-3-methoxy-10-methoxycarbonyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid Openeye Name: 13-cyclohexyl-3-methoxy-10-methoxycarbonyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid CAS Name: 13-cyclohexyl-3-methoxy-10-methoxycarbonyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid IUPAC Name: 13-cyclohexyl-3-methoxy-10-methoxycarbonyl-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid Traditional Name: 10-carbomethoxy-13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid Formula: C27H27NO5 MolecularWeight: 445.50698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(C4=C(N3CC(=C2)C(=O)O)C=C(C=C4)C(=O)OC)C5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(C4=C(N3CC(=C2)C(=O)O)C=C(C=C4)C(=O)OC)C5CCCCC5

InChI

InChI=1S/C27H27NO5/c1-32-20-9-11-21-18(13-20)12-19(26(29)30)15-28-23-14-17(27(31)33-2)8-10-22(23)24(25(21)28)16-6-4-3-5-7-16/h8-14,16H,3-7,15H2,1-2H3,(H,29,30)