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

Systemtic Name: heptan-2-yl 6-[4-(5-heptan-2-yloxycarbonylpyridin-2-yl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: 1-methylhexyl 6-[4-[5-(1-methylhexoxycarbonyl)-2-pyridyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[5-[heptan-2-yloxy(oxo)methyl]-2-pyridinyl]-1-piperazinyl]-3-pyridinecarboxylic acid heptan-2-yl ester IUPAC Name: heptan-2-yl 6-[4-(5-heptan-2-yloxycarbonylpyridin-2-yl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[5-(1-methylhexoxycarbonyl)-2-pyridyl]piperazino]nicotinic acid 1-methylhexyl ester Formula: C30H44N4O4 MolecularWeight: 524.69476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N4O4/c1-5-7-9-11-23(3)37-29(35)25-13-15-27(31-21-25)33-17-19-34(20-18-33)28-16-14-26(22-32-28)30(36)38-24(4)12-10-8-6-2/h13-16,21-24H,5-12,17-20H2,1-4H3