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

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C(=CC3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)/C(=C/C3=CC=C(C=C3)OC)/C#N

InChI

InChI=1S/C22H22N2O4/c1-14-10-20(15(2)24(14)18-6-7-18)21(25)13-28-22(26)17(12-23)11-16-4-8-19(27-3)9-5-16/h4-5,8-11,18H,6-7,13H2,1-3H3/b17-11+