[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O3/c1-20-13-14-21(2)25(17-20)30-28(33)27(23-9-5-3-6-10-23)34-26(32)16-15-22-18-29-31(19-22)24-11-7-4-8-12-24/h3-14,17-19,27H,15-16H2,1-2H3,(H,30,33)