4-[(E)-3-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[4-[(1-methyl-2-imidazolyl)methoxy]phenyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-keto-3-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-1-enyl]benzoic acid Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1COC2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1C=CN=C1COC2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H18N2O4/c1-23-13-12-22-20(23)14-27-18-9-7-16(8-10-18)19(24)11-4-15-2-5-17(6-3-15)21(25)26/h2-13H,14H2,1H3,(H,25,26)/b11-4+