methyl 6-[4-(4-octoxyphenyl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[4-(4-octoxyphenyl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-(4-octoxyphenyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-(4-octoxyphenyl)-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(4-octoxyphenyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(4-octoxyphenyl)piperazino]nicotinic acid methyl ester Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H35N3O3/c1-3-4-5-6-7-8-19-31-23-12-10-22(11-13-23)27-15-17-28(18-16-27)24-14-9-21(20-26-24)25(29)30-2/h9-14,20H,3-8,15-19H2,1-2H3