[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 6-methoxypyridine-3-carboxylate

Systemtic Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 6-methoxypyridine-3-carboxylate Openeye Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl] 6-methoxypyridine-3-carboxylate CAS Name: 6-methoxy-3-pyridinecarboxylic acid [2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl] 6-methoxypyridine-3-carboxylate Traditional Name: 6-methoxynicotinic acid [2-keto-2-(4-piperonylpiperazino)ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=NC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O6/c1-27-19-5-3-16(11-22-19)21(26)28-13-20(25)24-8-6-23(7-9-24)12-15-2-4-17-18(10-15)30-14-29-17/h2-5,10-11H,6-9,12-14H2,1H3