[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C24H26N4O3 MolecularWeight: 418.48824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c29-23(26-20-9-11-21(12-10-20)27-14-4-5-15-27)18-31-24(30)13-8-19-16-25-28(17-19)22-6-2-1-3-7-22/h1-3,6-7,9-12,16-17H,4-5,8,13-15,18H2,(H,26,29)