ethyl 6-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(1,3-benzodioxol-5-ylcarbamoyl)-1-piperidyl]pyridine-3-carboxylate CAS Name: 6-[4-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidino]nicotinic acid ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O5/c1-2-27-21(26)15-3-6-19(22-12-15)24-9-7-14(8-10-24)20(25)23-16-4-5-17-18(11-16)29-13-28-17/h3-6,11-12,14H,2,7-10,13H2,1H3,(H,23,25)