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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3/c31-26(29-25-14-8-7-11-23(25)17-21-9-3-1-4-10-21)20-33-27(32)16-15-22-18-28-30(19-22)24-12-5-2-6-13-24/h1-14,18-19H,15-17,20H2,(H,29,31)