4-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]-2-cyano-3-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]-2-cyano-3-oxidanylidene-butanoic acid Openeye Name: 4-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]-2-cyano-3-oxo-butanoic acid CAS Name: 4-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-2-cyano-3-oxobutanoic acid IUPAC Name: 4-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-cyano-3-oxobutanoic acid Traditional Name: 4-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]-2-cyano-3-keto-butyric acid Formula: C22H17ClN2O5 MolecularWeight: 424.83378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)C(C#N)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)C(C#N)C(=O)O

InChI

InChI=1S/C22H17ClN2O5/c1-12-16(10-20(26)18(11-24)22(28)29)17-9-15(30-2)7-8-19(17)25(12)21(27)13-3-5-14(23)6-4-13/h3-9,18H,10H2,1-2H3,(H,28,29)