3-cyclohexyl-1-[2-[3-(dimethylaminomethyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[2-[3-(dimethylaminomethyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[2-[3-(dimethylaminomethyl)-1-piperidyl]-2-oxo-ethyl]-2-phenyl-indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-[3-(dimethylaminomethyl)-1-piperidinyl]-2-oxoethyl]-2-phenyl-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-[3-(dimethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylindole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-[2-[3-(dimethylaminomethyl)piperidino]-2-keto-ethyl]-2-phenyl-indole-6-carboxylic acid Formula: C31H39N3O3 MolecularWeight: 501.65966

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCN(C1)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CN(C)CC1CCCN(C1)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C31H39N3O3/c1-32(2)19-22-10-9-17-33(20-22)28(35)21-34-27-18-25(31(36)37)15-16-26(27)29(23-11-5-3-6-12-23)30(34)24-13-7-4-8-14-24/h4,7-8,13-16,18,22-23H,3,5-6,9-12,17,19-21H2,1-2H3,(H,36,37)