ethyl 4-[1-(4-chlorophenyl)carbonyl-2-methyl-indol-3-yl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[1-(4-chlorophenyl)carbonyl-2-methyl-indol-3-yl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[1-(4-chlorobenzoyl)-2-methyl-indol-3-yl]-3-oxo-butanoate CAS Name: 4-[1-[(4-chlorophenyl)-oxomethyl]-2-methyl-3-indolyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]-3-oxobutanoate Traditional Name: 4-[1-(4-chlorobenzoyl)-2-methyl-indol-3-yl]-3-keto-butyric acid ethyl ester Formula: C22H20ClNO4 MolecularWeight: 397.8515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CC1=C(N(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)CC(=O)CC1=C(N(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H20ClNO4/c1-3-28-21(26)13-17(25)12-19-14(2)24(20-7-5-4-6-18(19)20)22(27)15-8-10-16(23)11-9-15/h4-11H,3,12-13H2,1-2H3