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

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=C(N(C(=C2)C)C3CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=C(N(C(=C2)C)C3CC3)C

InChI

InChI=1S/C22H25NO4/c1-4-26-20-10-5-17(6-11-20)21(24)14-27-22(25)12-7-18-13-15(2)23(16(18)3)19-8-9-19/h5-7,10-13,19H,4,8-9,14H2,1-3H3/b12-7+