4-[3-[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[3-[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-[3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 4-[3-[2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 4-[3-[3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 4-[3-[3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C(C#N)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H21N3O3/c1-16-12-20(17(2)27(16)22-10-8-19(9-11-22)24(29)30)13-21(14-25)23(28)26-15-18-6-4-3-5-7-18/h3-13H,15H2,1-2H3,(H,26,28)(H,29,30)