methyl 2-[2-oxidanylidene-3-[3-(phenylmethoxycarbonylamino)propyl]piperazin-1-yl]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-oxidanylidene-3-[3-(phenylmethoxycarbonylamino)propyl]piperazin-1-yl]-3-phenyl-propanoate Openeye Name: methyl 2-[3-[3-(benzyloxycarbonylamino)propyl]-2-oxo-piperazin-1-yl]-3-phenyl-propanoate CAS Name: 2-[2-oxo-3-[3-(phenylmethoxycarbonylamino)propyl]-1-piperazinyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[2-oxo-3-[3-(phenylmethoxycarbonylamino)propyl]piperazin-1-yl]-3-phenylpropanoate Traditional Name: 2-[3-[3-(benzyloxycarbonylamino)propyl]-2-keto-piperazino]-3-phenyl-propionic acid methyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N2CCNC(C2=O)CCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)N2CCNC(C2=O)CCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O5/c1-32-24(30)22(17-19-9-4-2-5-10-19)28-16-15-26-21(23(28)29)13-8-14-27-25(31)33-18-20-11-6-3-7-12-20/h2-7,9-12,21-22,26H,8,13-18H2,1H3,(H,27,31)