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

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-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-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 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-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C)C)C#N

InChI

InChI=1S/C22H21N3O4/c1-12-15(13(2)25-22(28)17(12)10-23)8-9-20(27)29-11-19(26)21-14(3)24-18-7-5-4-6-16(18)21/h4-7,24H,8-9,11H2,1-3H3,(H,25,28)