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

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate Openeye Name: [2-(4-methylanilino)-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-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-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-(p-toluidino)ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)CCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)CCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O3/c1-16-9-11-19(12-10-16)24-22(27)15-29-23(28)14-13-21-17(2)25-26(18(21)3)20-7-5-4-6-8-20/h4-12H,13-15H2,1-3H3,(H,24,27)