6-(2-carboxyethyl)-5-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]pyridine-2-carboxylic acid

Systemtic Name: 6-(2-carboxyethyl)-5-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]pyridine-2-carboxylic acid Openeye Name: 6-(2-carboxyethyl)-5-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]pyridine-2-carboxylic acid CAS Name: 6-(2-carboxyethyl)-5-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-2-pyridinecarboxylic acid IUPAC Name: 6-(2-carboxyethyl)-5-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]pyridine-2-carboxylic acid Traditional Name: 6-(2-carboxyethyl)-5-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]picolinic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CCCCCOC2=C(N=C(C=C2)C(=O)O)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/CCCCOC2=C(N=C(C=C2)C(=O)O)CCC(=O)O

InChI

InChI=1S/C22H25NO6/c1-28-17-9-7-16(8-10-17)6-4-2-3-5-15-29-20-13-11-19(22(26)27)23-18(20)12-14-21(24)25/h4,6-11,13H,2-3,5,12,14-15H2,1H3,(H,24,25)(H,26,27)/b6-4+