[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)propanoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)CCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)CCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C24H27N3O3/c1-17-9-7-8-10-20(17)15-25-23(28)16-30-24(29)14-13-22-18(2)26-27(19(22)3)21-11-5-4-6-12-21/h4-12H,13-16H2,1-3H3,(H,25,28)