[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)OC)N3C=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)OC)N3C=CC=C3

InChI

InChI=1S/C21H19NO4/c1-15-8-9-17(13-19(15)22-10-3-4-11-22)21(24)26-14-20(23)16-6-5-7-18(12-16)25-2/h3-13H,14H2,1-2H3