2-[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]benzoic acid

Systemtic Name: 2-[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]benzoic acid Openeye Name: 2-[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]benzoic acid CAS Name: 2-[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzoic acid IUPAC Name: 2-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzoic acid Traditional Name: 2-[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]benzoic acid Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2C3=CC=CC=C3C(=O)O)OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2C3=CC=CC=C3C(=O)O)OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C28H24N2O4/c31-24-12-6-11-21-20(24)13-14-25(27(21)22-9-4-5-10-23(22)28(32)33)34-26(17-30-16-15-29-18-30)19-7-2-1-3-8-19/h1-5,7-10,13-16,18,26H,6,11-12,17H2,(H,32,33)