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

Systemtic Name: hexan-2-yl 6-[4-(5-hexan-2-yloxycarbonylpyridin-2-yl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: 1-methylpentyl 6-[4-[5-(1-methylpentoxycarbonyl)-2-pyridyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[5-[hexan-2-yloxy(oxo)methyl]-2-pyridinyl]-1-piperazinyl]-3-pyridinecarboxylic acid hexan-2-yl ester IUPAC Name: hexan-2-yl 6-[4-(5-hexan-2-yloxycarbonylpyridin-2-yl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[5-(1-methylpentoxycarbonyl)-2-pyridyl]piperazino]nicotinic acid 1-methylpentyl ester Formula: C28H40N4O4 MolecularWeight: 496.6416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(=O)OC(C)CCCC

Isomeric SMILES

CCCCC(C)OC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(=O)OC(C)CCCC

InChI

InChI=1S/C28H40N4O4/c1-5-7-9-21(3)35-27(33)23-11-13-25(29-19-23)31-15-17-32(18-16-31)26-14-12-24(20-30-26)28(34)36-22(4)10-8-6-2/h11-14,19-22H,5-10,15-18H2,1-4H3