[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O4/c1-12-20(14(3)24)13(2)23-21(12)18(25)11-27-19(26)9-8-15-10-22-17-7-5-4-6-16(15)17/h4-7,10,22-23H,8-9,11H2,1-3H3