[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate

Systemtic Name: [2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate Openeye Name: [2-(1-methylpyrrol-2-yl)-2-oxo-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate CAS Name: 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid [2-(1-methyl-2-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylpyrrol-2-yl)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid [2-keto-2-(1-methylpyrrol-2-yl)ethyl] ester Formula: C24H25NO6 MolecularWeight: 423.4584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=CN2C)OCCOC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=CN2C)OCCOC3=CC=CC=C3

InChI

InChI=1S/C24H25NO6/c1-3-28-23-16-18(24(27)31-17-21(26)20-10-7-13-25(20)2)11-12-22(23)30-15-14-29-19-8-5-4-6-9-19/h4-13,16H,3,14-15,17H2,1-2H3