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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(C4=C(N3CCC2OCCN5CCCC5)C=C(C=C4)C(=O)O)C6CCCCC6

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(C4=C(N3CCC2OCCN5CCCC5)C=C(C=C4)C(=O)O)C6CCCCC6

InChI

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