2-[1-(2-cyanoethyl)indol-3-yl]-4-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: 2-[1-(2-cyanoethyl)indol-3-yl]-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 2-[1-(2-cyanoethyl)indol-3-yl]-4-oxo-4-phenyl-butanoic acid CAS Name: 2-[1-(2-cyanoethyl)-3-indolyl]-4-oxo-4-phenylbutanoic acid IUPAC Name: 2-[1-(2-cyanoethyl)indol-3-yl]-4-oxo-4-phenylbutanoic acid Traditional Name: 2-[1-(2-cyanoethyl)indol-3-yl]-4-keto-4-phenyl-butyric acid Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(C2=CN(C3=CC=CC=C32)CCC#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(C2=CN(C3=CC=CC=C32)CCC#N)C(=O)O

InChI

InChI=1S/C21H18N2O3/c22-11-6-12-23-14-18(16-9-4-5-10-19(16)23)17(21(25)26)13-20(24)15-7-2-1-3-8-15/h1-5,7-10,14,17H,6,12-13H2,(H,25,26)