methyl 6-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]carbonylpyridine-2-carboxylate

Systemtic Name: methyl 6-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]carbonylpyridine-2-carboxylate Openeye Name: methyl 6-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate CAS Name: 6-[[4-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-1-piperidinyl]-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate Traditional Name: 6-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbonyl]picolinic acid methyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=N1)C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=CC(=N1)C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O6/c1-28-21(27)16-4-2-3-15(23-16)20(26)24-9-7-13(8-10-24)19(25)22-14-5-6-17-18(11-14)30-12-29-17/h2-6,11,13H,7-10,12H2,1H3,(H,22,25)