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

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: 3-(4-butoxy-3-ethoxyphenyl)-2-propenoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate Traditional Name: 3-(4-butoxy-3-ethoxy-phenyl)acrylic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)C2=CC=CN2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)C2=CC=CN2)OCC

InChI

InChI=1S/C21H25NO5/c1-3-5-13-26-19-10-8-16(14-20(19)25-4-2)9-11-21(24)27-15-18(23)17-7-6-12-22-17/h6-12,14,22H,3-5,13,15H2,1-2H3