methyl 4-[[2-[4-[(phenylmethyl)carbamoyl]piperidin-1-yl]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-[(phenylmethyl)carbamoyl]piperidin-1-yl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[4-(benzylcarbamoyl)-1-piperidyl]propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[4-[oxo-[(phenylmethyl)amino]methyl]-1-piperidinyl]propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(benzylcarbamoyl)piperidin-1-yl]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[4-(benzylcarbamoyl)piperidino]propanoylamino]methyl]benzoic acid methyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O4/c1-18(23(29)26-17-20-8-10-22(11-9-20)25(31)32-2)28-14-12-21(13-15-28)24(30)27-16-19-6-4-3-5-7-19/h3-11,18,21H,12-17H2,1-2H3,(H,26,29)(H,27,30)