[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 3-[(3-methylphenyl)methoxy]benzoate

Systemtic Name: [2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 3-[(3-methylphenyl)methoxy]benzoate Openeye Name: [2-(1-methylpyrrol-2-yl)-2-oxo-ethyl] 3-(m-tolylmethoxy)benzoate CAS Name: 3-[(3-methylphenyl)methoxy]benzoic acid [2-(1-methyl-2-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylpyrrol-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)methoxy]benzoate Traditional Name: 3-(3-methylbenzyl)oxybenzoic acid [2-keto-2-(1-methylpyrrol-2-yl)ethyl] ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CN3C

Isomeric SMILES

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CN3C

InChI

InChI=1S/C22H21NO4/c1-16-6-3-7-17(12-16)14-26-19-9-4-8-18(13-19)22(25)27-15-21(24)20-10-5-11-23(20)2/h3-13H,14-15H2,1-2H3