5-[4-(4-hexoxyphenyl)piperazin-1-yl]pyridine-2-carboxylic acid

Systemtic Name: 5-[4-(4-hexoxyphenyl)piperazin-1-yl]pyridine-2-carboxylic acid Openeye Name: 5-[4-(4-hexoxyphenyl)piperazin-1-yl]pyridine-2-carboxylic acid CAS Name: 5-[4-(4-hexoxyphenyl)-1-piperazinyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[4-(4-hexoxyphenyl)piperazin-1-yl]pyridine-2-carboxylic acid Traditional Name: 5-[4-(4-hexoxyphenyl)piperazino]picolinic acid Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CN=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CN=C(C=C3)C(=O)O

InChI

InChI=1S/C22H29N3O3/c1-2-3-4-5-16-28-20-9-6-18(7-10-20)24-12-14-25(15-13-24)19-8-11-21(22(26)27)23-17-19/h6-11,17H,2-5,12-16H2,1H3,(H,26,27)