6-[4-(4-heptoxyphenyl)piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[4-(4-heptoxyphenyl)piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-[4-(4-heptoxyphenyl)piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 6-[4-(4-heptoxyphenyl)-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[4-(4-heptoxyphenyl)piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 6-[4-(4-heptoxyphenyl)piperazino]nicotinic acid Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-2-3-4-5-6-17-29-21-10-8-20(9-11-21)25-13-15-26(16-14-25)22-12-7-19(18-24-22)23(27)28/h7-12,18H,2-6,13-17H2,1H3,(H,27,28)