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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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