13-cyclohexyl-3-methoxy-6-(2-pyrrolidin-1-ylethoxy)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

Systemtic Name: 13-cyclohexyl-3-methoxy-6-(2-pyrrolidin-1-ylethoxy)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-3-methoxy-6-(2-pyrrolidin-1-ylethoxy)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-3-methoxy-6-[2-(1-pyrrolidinyl)ethoxy]-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-3-methoxy-6-(2-pyrrolidin-1-ylethoxy)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-3-methoxy-6-(2-pyrrolidinoethoxy)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Formula: C31H38N2O4 MolecularWeight: 502.64442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(C4=C(N3CC(C2)OCCN5CCCC5)C=C(C=C4)C(=O)O)C6CCCCC6

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(C4=C(N3CC(C2)OCCN5CCCC5)C=C(C=C4)C(=O)O)C6CCCCC6

InChI

InChI=1S/C31H38N2O4/c1-36-24-10-12-26-23(17-24)18-25(37-16-15-32-13-5-6-14-32)20-33-28-19-22(31(34)35)9-11-27(28)29(30(26)33)21-7-3-2-4-8-21/h9-12,17,19,21,25H,2-8,13-16,18,20H2,1H3,(H,34,35)