2-[2-cyano-5-[(4-cyanophenyl)methoxy-(3-methylimidazol-4-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[2-cyano-5-[(4-cyanophenyl)methoxy-(3-methylimidazol-4-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[2-cyano-5-[(4-cyanophenyl)methoxy-(3-methylimidazol-4-yl)methyl]phenyl]benzoic acid CAS Name: 2-[2-cyano-5-[(4-cyanophenyl)methoxy-(3-methyl-4-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[2-cyano-5-[(4-cyanophenyl)methoxy-(3-methylimidazol-4-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[2-cyano-5-[(4-cyanobenzyl)oxy-(3-methylimidazol-4-yl)methyl]phenyl]benzoic acid Formula: C27H20N4O3 MolecularWeight: 448.4727

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC(=C(C=C2)C#N)C3=CC=CC=C3C(=O)O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C=NC=C1C(C2=CC(=C(C=C2)C#N)C3=CC=CC=C3C(=O)O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H20N4O3/c1-31-17-30-15-25(31)26(34-16-19-8-6-18(13-28)7-9-19)20-10-11-21(14-29)24(12-20)22-4-2-3-5-23(22)27(32)33/h2-12,15,17,26H,16H2,1H3,(H,32,33)