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

Systemtic Name: [1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [1-methyl-2-oxo-2-(2-phenylanilino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [1-oxo-1-(2-phenylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2-phenylanilino)propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-keto-1-methyl-2-(2-phenylanilino)ethyl] ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3/c1-20(27(32)29-25-15-9-8-14-24(25)22-10-4-2-5-11-22)33-26(31)17-16-21-18-28-30(19-21)23-12-6-3-7-13-23/h2-15,18-20H,16-17H2,1H3,(H,29,32)