(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O4/c1-16-13-19(17(2)28(16)21-9-11-22(31-3)12-10-21)14-20(15-26)25(30)32-23(24(27)29)18-7-5-4-6-8-18/h4-14,23H,1-3H3,(H2,27,29)/b20-14+