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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)OCC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)OCC(=O)C3=CC=CC=C3OC

InChI

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