4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-(3-methoxyphenyl)benzoic acid

Systemtic Name: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-(3-methoxyphenyl)benzoic acid Openeye Name: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-(3-methoxyphenyl)benzoic acid CAS Name: 4-[[(4-cyanophenyl)-(3-methyl-4-imidazolyl)methoxy]methyl]-3-(3-methoxyphenyl)benzoic acid IUPAC Name: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-(3-methoxyphenyl)benzoic acid Traditional Name: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-(3-methoxyphenyl)benzoic acid Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)OCC3=C(C=C(C=C3)C(=O)O)C4=CC(=CC=C4)OC

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)OCC3=C(C=C(C=C3)C(=O)O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H23N3O4/c1-30-17-29-15-25(30)26(19-8-6-18(14-28)7-9-19)34-16-22-11-10-21(27(31)32)13-24(22)20-4-3-5-23(12-20)33-2/h3-13,15,17,26H,16H2,1-2H3,(H,31,32)