ethyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]propylcarbamoylamino]benzoate

Systemtic Name: ethyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]propylcarbamoylamino]benzoate Openeye Name: ethyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperidyl]propylcarbamoylamino]benzoate CAS Name: 3-[[[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperidinyl]propylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]propylcarbamoylamino]benzoate Traditional Name: 3-[3-(4-piperonylpiperidino)propylcarbamoylamino]benzoic acid ethyl ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCCCN2CCC(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCCCN2CCC(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H33N3O5/c1-2-32-25(30)21-5-3-6-22(17-21)28-26(31)27-11-4-12-29-13-9-19(10-14-29)15-20-7-8-23-24(16-20)34-18-33-23/h3,5-8,16-17,19H,2,4,9-15,18H2,1H3,(H2,27,28,31)