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

Systemtic Name: [1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2OC)N3C=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2OC)N3C=CC=C3

InChI

InChI=1S/C22H22N2O4/c1-15-10-11-17(14-19(15)24-12-6-7-13-24)22(26)28-16(2)21(25)23-18-8-4-5-9-20(18)27-3/h4-14,16H,1-3H3,(H,23,25)