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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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