[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-[benzyl(methyl)amino]-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-[methyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-[benzyl(methyl)amino]-2-keto-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-16-12-13-22-24(16)19-10-8-18(9-11-19)21(26)27-15-20(25)23(2)14-17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3