5-[6-(3-methoxy-3-oxidanylidene-propyl)-5-[4-(2-methoxyphenyl)hex-5-enoxy]pyridin-2-yl]pent-4-ynoic acid

Systemtic Name: 5-[6-(3-methoxy-3-oxidanylidene-propyl)-5-[4-(2-methoxyphenyl)hex-5-enoxy]pyridin-2-yl]pent-4-ynoic acid Openeye Name: 5-[6-(3-methoxy-3-oxo-propyl)-5-[4-(2-methoxyphenyl)hex-5-enoxy]-2-pyridyl]pent-4-ynoic acid CAS Name: 5-[6-(3-methoxy-3-oxopropyl)-5-[4-(2-methoxyphenyl)hex-5-enoxy]-2-pyridinyl]-4-pentynoic acid IUPAC Name: 5-[6-(3-methoxy-3-oxopropyl)-5-[4-(2-methoxyphenyl)hex-5-enoxy]pyridin-2-yl]pent-4-ynoic acid Traditional Name: 5-[6-(3-keto-3-methoxy-propyl)-5-[4-(2-methoxyphenyl)hex-5-enoxy]-2-pyridyl]pent-4-ynoic acid Formula: C27H31NO6 MolecularWeight: 465.53814

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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)OC)C=C

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO6/c1-4-20(22-12-6-7-13-24(22)32-2)10-9-19-34-25-17-15-21(11-5-8-14-26(29)30)28-23(25)16-18-27(31)33-3/h4,6-7,12-13,15,17,20H,1,8-10,14,16,18-19H2,2-3H3,(H,29,30)