(Z)-3-[2-butyl-3-[4-methoxy-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]imidazol-4-yl]-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]prop-2-enoic acid

Systemtic Name: (Z)-3-[2-butyl-3-[4-methoxy-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]imidazol-4-yl]-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]prop-2-enoic acid Openeye Name: (Z)-3-[2-butyl-3-[2-(4-hydroxy-4-oxo-butoxy)-4-methoxy-phenyl]imidazol-4-yl]-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]prop-2-enoic acid CAS Name: (Z)-3-[2-butyl-3-[2-(4-hydroxy-4-oxobutoxy)-4-methoxyphenyl]-4-imidazolyl]-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-propenoic acid IUPAC Name: (Z)-3-[2-butyl-3-[2-(4-hydroxy-4-oxobutoxy)-4-methoxyphenyl]imidazol-4-yl]-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]prop-2-enoic acid Traditional Name: (Z)-3-[2-butyl-3-[2-(4-hydroxy-4-keto-butoxy)-4-methoxy-phenyl]imidazol-4-yl]-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]acrylic acid Formula: C30H34N2O9 MolecularWeight: 566.59896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1C2=C(C=C(C=C2)OC)OCCCC(=O)O)C=C(CC3=CC4=C(C=C3OC)OCO4)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1C2=C(C=C(C=C2)OC)OCCCC(=O)O)/C=C(/CC3=CC4=C(C=C3OC)OCO4)\C(=O)O

InChI

InChI=1S/C30H34N2O9/c1-4-5-7-28-31-17-21(32(28)23-10-9-22(37-2)15-25(23)39-11-6-8-29(33)34)13-20(30(35)36)12-19-14-26-27(41-18-40-26)16-24(19)38-3/h9-10,13-17H,4-8,11-12,18H2,1-3H3,(H,33,34)(H,35,36)/b20-13-