[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)OC(=O)CCC4=C(NC(=O)C(=C4C)C#N)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)OC(=O)CCC4=C(NC(=O)C(=C4C)C#N)C

InChI

InChI=1S/C29H27N3O4/c1-4-19-11-8-12-22-24(16-31-26(19)22)27(34)28(20-9-6-5-7-10-20)36-25(33)14-13-21-17(2)23(15-30)29(35)32-18(21)3/h5-12,16,28,31H,4,13-14H2,1-3H3,(H,32,35)