5-[6-(2-carboxyethyl)-5-[4-(2-methoxyphenyl)hex-5-enoxy]pyridin-2-yl]pent-4-ynoic acid

Systemtic Name: 5-[6-(2-carboxyethyl)-5-[4-(2-methoxyphenyl)hex-5-enoxy]pyridin-2-yl]pent-4-ynoic acid Openeye Name: 5-[6-(2-carboxyethyl)-5-[4-(2-methoxyphenyl)hex-5-enoxy]-2-pyridyl]pent-4-ynoic acid CAS Name: 5-[6-(2-carboxyethyl)-5-[4-(2-methoxyphenyl)hex-5-enoxy]-2-pyridinyl]-4-pentynoic acid IUPAC Name: 5-[6-(2-carboxyethyl)-5-[4-(2-methoxyphenyl)hex-5-enoxy]pyridin-2-yl]pent-4-ynoic acid Traditional Name: 5-[6-(2-carboxyethyl)-5-[4-(2-methoxyphenyl)hex-5-enoxy]-2-pyridyl]pent-4-ynoic acid Formula: C26H29NO6 MolecularWeight: 451.51156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CCCOC2=C(N=C(C=C2)C#CCCC(=O)O)CCC(=O)O)C=C

Isomeric SMILES

COC1=CC=CC=C1C(CCCOC2=C(N=C(C=C2)C#CCCC(=O)O)CCC(=O)O)C=C

InChI

InChI=1S/C26H29NO6/c1-3-19(21-11-5-6-12-23(21)32-2)9-8-18-33-24-16-14-20(10-4-7-13-25(28)29)27-22(24)15-17-26(30)31/h3,5-6,11-12,14,16,19H,1,7-9,13,15,17-18H2,2H3,(H,28,29)(H,30,31)