methyl 3-[4-[4-(phenylmethyl)piperidin-1-yl]butylcarbamoylamino]benzoate

Systemtic Name: methyl 3-[4-[4-(phenylmethyl)piperidin-1-yl]butylcarbamoylamino]benzoate Openeye Name: methyl 3-[4-(4-benzyl-1-piperidyl)butylcarbamoylamino]benzoate CAS Name: 3-[[oxo-[4-[4-(phenylmethyl)-1-piperidinyl]butylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-benzylpiperidin-1-yl)butylcarbamoylamino]benzoate Traditional Name: 3-[4-(4-benzylpiperidino)butylcarbamoylamino]benzoic acid methyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)NCCCCN2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)NCCCCN2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3/c1-31-24(29)22-10-7-11-23(19-22)27-25(30)26-14-5-6-15-28-16-12-21(13-17-28)18-20-8-3-2-4-9-20/h2-4,7-11,19,21H,5-6,12-18H2,1H3,(H2,26,27,30)