(phenylmethyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-(4-pyridin-2-ylpiperazin-1-yl)butanoate

Systemtic Name: (phenylmethyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-(4-pyridin-2-ylpiperazin-1-yl)butanoate Openeye Name: benzyl 3-(tert-butoxycarbonylamino)-4-oxo-4-[4-(2-pyridyl)piperazin-1-yl]butanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanoate Traditional Name: 3-(tert-butoxycarbonylamino)-4-keto-4-[4-(2-pyridyl)piperazino]butyric acid benzyl ester Formula: C25H32N4O5 MolecularWeight: 468.54538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C25H32N4O5/c1-25(2,3)34-24(32)27-20(17-22(30)33-18-19-9-5-4-6-10-19)23(31)29-15-13-28(14-16-29)21-11-7-8-12-26-21/h4-12,20H,13-18H2,1-3H3,(H,27,32)