4-[(E)-2-(imidazol-1-ylmethyl)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-(imidazol-1-ylmethyl)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(imidazol-1-ylmethyl)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(1-imidazolylmethyl)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(imidazol-1-ylmethyl)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(imidazol-1-ylmethyl)-3-p-anisyloxy-prop-1-enyl]benzoic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COCC(=CC2=CC=C(C=C2)C(=O)O)CN3C=CN=C3

Isomeric SMILES

COC1=CC=C(C=C1)COC/C(=C/C2=CC=C(C=C2)C(=O)O)/CN3C=CN=C3

InChI

InChI=1S/C22H22N2O4/c1-27-21-8-4-18(5-9-21)14-28-15-19(13-24-11-10-23-16-24)12-17-2-6-20(7-3-17)22(25)26/h2-12,16H,13-15H2,1H3,(H,25,26)/b19-12+