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

Systemtic Name: 3-cyclohexyl-1-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxidanylidene-ethyl]-2-pyridin-3-yl-indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[2-[3-(dimethylamino)-1-piperidyl]-2-oxo-ethyl]-2-(3-pyridyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-[3-(dimethylamino)-1-piperidinyl]-2-oxoethyl]-2-(3-pyridinyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyridin-3-ylindole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-[2-[3-(dimethylamino)piperidino]-2-keto-ethyl]-2-(3-pyridyl)indole-6-carboxylic acid Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCCN(C1)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CN=CC=C4)C5CCCCC5

Isomeric SMILES

CN(C)C1CCCN(C1)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CN=CC=C4)C5CCCCC5

InChI

InChI=1S/C29H36N4O3/c1-31(2)23-11-7-15-32(18-23)26(34)19-33-25-16-21(29(35)36)12-13-24(25)27(20-8-4-3-5-9-20)28(33)22-10-6-14-30-17-22/h6,10,12-14,16-17,20,23H,3-5,7-9,11,15,18-19H2,1-2H3,(H,35,36)