ethyl 3-[3-[3-(phenylmethyl)piperidin-1-yl]propylcarbamoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCCCN2CCCC(C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCCCN2CCCC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3/c1-2-31-24(29)22-12-6-13-23(18-22)27-25(30)26-14-8-16-28-15-7-11-21(19-28)17-20-9-4-3-5-10-20/h3-6,9-10,12-13,18,21H,2,7-8,11,14-17,19H2,1H3,(H2,26,27,30)