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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3/c1-17-12-21(13-22(15-26)24(29)27-16-19-8-5-4-6-9-19)18(2)28(17)23-11-7-10-20(14-23)25(30)31-3/h4-14H,16H2,1-3H3,(H,27,29)/b22-13-