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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(4-ethylphenyl)-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-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-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-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=C(N(C(=C2)C)C3CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=C(N(C(=C2)C)C3CC3)C

InChI

InChI=1S/C22H25NO3/c1-4-17-5-7-18(8-6-17)21(24)14-26-22(25)12-9-19-13-15(2)23(16(19)3)20-10-11-20/h5-9,12-13,20H,4,10-11,14H2,1-3H3/b12-9+