octan-2-yl 6-[4-(5-octan-2-yloxycarbonylpyridin-2-yl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: octan-2-yl 6-[4-(5-octan-2-yloxycarbonylpyridin-2-yl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: 1-methylheptyl 6-[4-[5-(1-methylheptoxycarbonyl)-2-pyridyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[5-[octan-2-yloxy(oxo)methyl]-2-pyridinyl]-1-piperazinyl]-3-pyridinecarboxylic acid octan-2-yl ester IUPAC Name: octan-2-yl 6-[4-(5-octan-2-yloxycarbonylpyridin-2-yl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[5-(1-methylheptoxycarbonyl)-2-pyridyl]piperazino]nicotinic acid 1-methylheptyl ester Formula: C32H48N4O4 MolecularWeight: 552.74792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C32H48N4O4/c1-5-7-9-11-13-25(3)39-31(37)27-15-17-29(33-23-27)35-19-21-36(22-20-35)30-18-16-28(24-34-30)32(38)40-26(4)14-12-10-8-6-2/h15-18,23-26H,5-14,19-22H2,1-4H3