3-[2-[5-[(Z)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-2-butyl-imidazol-1-yl]-5-methoxy-phenoxy]pyridine-4-carboxylic acid

Systemtic Name: 3-[2-[5-[(Z)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-2-butyl-imidazol-1-yl]-5-methoxy-phenoxy]pyridine-4-carboxylic acid Openeye Name: 3-[2-[5-[(Z)-2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-oxo-prop-1-enyl]-2-butyl-imidazol-1-yl]-5-methoxy-phenoxy]pyridine-4-carboxylic acid CAS Name: 3-[2-[5-[(Z)-2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-oxoprop-1-enyl]-2-butyl-1-imidazolyl]-5-methoxyphenoxy]-4-pyridinecarboxylic acid IUPAC Name: 3-[2-[5-[(Z)-2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-oxoprop-1-enyl]-2-butylimidazol-1-yl]-5-methoxyphenoxy]pyridine-4-carboxylic acid Traditional Name: 3-[2-[2-butyl-5-[(Z)-3-hydroxy-3-keto-2-piperonyl-prop-1-enyl]imidazol-1-yl]-5-methoxy-phenoxy]isonicotinic acid Formula: C31H29N3O8 MolecularWeight: 571.57726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1C2=C(C=C(C=C2)OC)OC3=C(C=CN=C3)C(=O)O)C=C(CC4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1C2=C(C=C(C=C2)OC)OC3=C(C=CN=C3)C(=O)O)/C=C(/CC4=CC5=C(C=C4)OCO5)\C(=O)O

InChI

InChI=1S/C31H29N3O8/c1-3-4-5-29-33-16-21(14-20(30(35)36)12-19-6-9-25-27(13-19)41-18-40-25)34(29)24-8-7-22(39-2)15-26(24)42-28-17-32-11-10-23(28)31(37)38/h6-11,13-17H,3-5,12,18H2,1-2H3,(H,35,36)(H,37,38)/b20-14-