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

Systemtic Name: methyl 6-[4-(4-heptoxyphenyl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-(4-heptoxyphenyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-(4-heptoxyphenyl)-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(4-heptoxyphenyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(4-heptoxyphenyl)piperazino]nicotinic acid methyl ester Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H33N3O3/c1-3-4-5-6-7-18-30-22-11-9-21(10-12-22)26-14-16-27(17-15-26)23-13-8-20(19-25-23)24(28)29-2/h8-13,19H,3-7,14-18H2,1-2H3