ethyl 4-[1,3-benzodioxol-5-ylmethyl(pyridin-3-ylcarbonyl)amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl(pyridin-3-ylcarbonyl)amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl(pyridine-3-carbonyl)amino]piperidine-1-carboxylate CAS Name: 4-[1,3-benzodioxol-5-ylmethyl-[oxo(3-pyridinyl)methyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl(pyridine-3-carbonyl)amino]piperidine-1-carboxylate Traditional Name: 4-[nicotinoyl(piperonyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H25N3O5/c1-2-28-22(27)24-10-7-18(8-11-24)25(21(26)17-4-3-9-23-13-17)14-16-5-6-19-20(12-16)30-15-29-19/h3-6,9,12-13,18H,2,7-8,10-11,14-15H2,1H3