[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3/c1-16-8-6-7-11-20(16)24-22(27)17(2)28-21(26)13-12-18-14-23-25(15-18)19-9-4-3-5-10-19/h3-11,14-15,17H,12-13H2,1-2H3,(H,24,27)