7-(4-imidazol-1-ylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid

Systemtic Name: 7-(4-imidazol-1-ylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid Openeye Name: 7-(4-imidazol-1-ylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid CAS Name: 7-[4-(1-imidazolyl)phenyl]-2,3-dihydro-1-benzoxepin-4-carboxylic acid IUPAC Name: 7-(4-imidazol-1-ylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid Traditional Name: 7-(4-imidazol-1-ylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid Formula: C20H16N2O3 MolecularWeight: 332.35264

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C1C(=O)O)C=C(C=C2)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1COC2=C(C=C1C(=O)O)C=C(C=C2)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C20H16N2O3/c23-20(24)16-7-10-25-19-6-3-15(11-17(19)12-16)14-1-4-18(5-2-14)22-9-8-21-13-22/h1-6,8-9,11-13H,7,10H2,(H,23,24)