4-[(E)-5-(4-ethoxycarbonylphenyl)-4-(imidazol-1-ylmethyl)pent-4-enyl]benzoic acid

Systemtic Name: 4-[(E)-5-(4-ethoxycarbonylphenyl)-4-(imidazol-1-ylmethyl)pent-4-enyl]benzoic acid Openeye Name: 4-[(E)-5-(4-ethoxycarbonylphenyl)-4-(imidazol-1-ylmethyl)pent-4-enyl]benzoic acid CAS Name: 4-[(E)-5-(4-ethoxycarbonylphenyl)-4-(1-imidazolylmethyl)pent-4-enyl]benzoic acid IUPAC Name: 4-[(E)-5-(4-ethoxycarbonylphenyl)-4-(imidazol-1-ylmethyl)pent-4-enyl]benzoic acid Traditional Name: 4-[(E)-5-(4-carbethoxyphenyl)-4-(imidazol-1-ylmethyl)pent-4-enyl]benzoic acid Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=C(CCCC2=CC=C(C=C2)C(=O)O)CN3C=CN=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C(\CCCC2=CC=C(C=C2)C(=O)O)/CN3C=CN=C3

InChI

InChI=1S/C25H26N2O4/c1-2-31-25(30)23-12-8-20(9-13-23)16-21(17-27-15-14-26-18-27)5-3-4-19-6-10-22(11-7-19)24(28)29/h6-16,18H,2-5,17H2,1H3,(H,28,29)/b21-16+