ethyl 2-(2-cyano-3-ethyl-1-methyl-piperidin-4-yl)-3-oxidanylidene-4-[1-(phenylmethyl)indol-3-yl]butanoate

Systemtic Name: ethyl 2-(2-cyano-3-ethyl-1-methyl-piperidin-4-yl)-3-oxidanylidene-4-[1-(phenylmethyl)indol-3-yl]butanoate Openeye Name: ethyl 4-(1-benzylindol-3-yl)-2-(2-cyano-3-ethyl-1-methyl-4-piperidyl)-3-oxo-butanoate CAS Name: 2-(2-cyano-3-ethyl-1-methyl-4-piperidinyl)-3-oxo-4-[1-(phenylmethyl)-3-indolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-(1-benzylindol-3-yl)-2-(2-cyano-3-ethyl-1-methylpiperidin-4-yl)-3-oxobutanoate Traditional Name: 4-(1-benzylindol-3-yl)-2-(2-cyano-3-ethyl-1-methyl-4-piperidyl)-3-keto-butyric acid ethyl ester Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CCN(C1C#N)C)C(C(=O)CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCC1C(CCN(C1C#N)C)C(C(=O)CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C30H35N3O3/c1-4-23-25(15-16-32(3)27(23)18-31)29(30(35)36-5-2)28(34)17-22-20-33(19-21-11-7-6-8-12-21)26-14-10-9-13-24(22)26/h6-14,20,23,25,27,29H,4-5,15-17,19H2,1-3H3