2-[[2-[2-butyl-5-[(Z)-3-ethoxy-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-oxidanylidene-prop-1-enyl]imidazol-1-yl]-5-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 2-[[2-[2-butyl-5-[(Z)-3-ethoxy-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-oxidanylidene-prop-1-enyl]imidazol-1-yl]-5-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 2-[[2-[2-butyl-5-[(Z)-3-ethoxy-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-oxo-prop-1-enyl]imidazol-1-yl]-5-methoxy-phenoxy]methyl]benzoic acid CAS Name: 2-[[2-[2-butyl-5-[(Z)-3-ethoxy-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-oxoprop-1-enyl]-1-imidazolyl]-5-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 2-[[2-[2-butyl-5-[(Z)-3-ethoxy-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-oxoprop-1-enyl]imidazol-1-yl]-5-methoxyphenoxy]methyl]benzoic acid Traditional Name: 2-[[2-[2-butyl-5-[(Z)-3-ethoxy-3-keto-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]prop-1-enyl]imidazol-1-yl]-5-methoxy-phenoxy]methyl]benzoic acid Formula: C36H38N2O9 MolecularWeight: 642.69492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1C2=C(C=C(C=C2)OC)OCC3=CC=CC=C3C(=O)O)C=C(CC4=CC5=C(C=C4OC)OCO5)C(=O)OCC

Isomeric SMILES

CCCCC1=NC=C(N1C2=C(C=C(C=C2)OC)OCC3=CC=CC=C3C(=O)O)/C=C(/CC4=CC5=C(C=C4OC)OCO5)\C(=O)OCC

InChI

InChI=1S/C36H38N2O9/c1-5-7-12-34-37-20-26(16-25(36(41)44-6-2)15-24-17-32-33(47-22-46-32)19-30(24)43-4)38(34)29-14-13-27(42-3)18-31(29)45-21-23-10-8-9-11-28(23)35(39)40/h8-11,13-14,16-20H,5-7,12,15,21-22H2,1-4H3,(H,39,40)/b25-16-