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

Systemtic Name: 3-[3-[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoic acid Openeye Name: 3-[3-[3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoic acid CAS Name: 3-[3-[2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2,5-dimethyl-1-pyrrolyl]-2-methylbenzoic acid IUPAC Name: 3-[3-[3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoic acid Traditional Name: 3-[3-[3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoic acid Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)C=C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)C=C(C#N)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H23N3O3/c1-16-12-20(13-21(14-26)24(29)27-15-19-8-5-4-6-9-19)18(3)28(16)23-11-7-10-22(17(23)2)25(30)31/h4-13H,15H2,1-3H3,(H,27,29)(H,30,31)