[2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O3/c32-27(29-19-26(23-10-4-1-5-11-23)24-12-6-2-7-13-24)21-34-28(33)17-16-22-18-30-31(20-22)25-14-8-3-9-15-25/h1-15,18,20,26H,16-17,19,21H2,(H,29,32)