[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-phenylpropanoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C21H25N5O4/c22-21(29)24-17(16-6-2-1-3-7-16)14-20(28)30-15-19(27)26-12-10-25(11-13-26)18-8-4-5-9-23-18/h1-9,17H,10-15H2,(H3,22,24,29)