[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: 3-(4-butoxy-3-ethoxyphenyl)-2-propenoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate Traditional Name: 3-(4-butoxy-3-ethoxy-phenyl)acrylic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C)OCC

InChI

InChI=1S/C25H31NO6/c1-6-8-13-31-21-11-9-19(14-22(21)30-7-2)10-12-23(29)32-15-20(28)25-16(3)24(18(5)27)17(4)26-25/h9-12,14,26H,6-8,13,15H2,1-5H3