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

Systemtic Name: methyl 2-[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]benzoate Openeye Name: methyl 2-[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]benzoate CAS Name: 2-[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzoate Traditional Name: 2-[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]benzoic acid methyl ester Formula: C29H26N2O4 MolecularWeight: 466.52774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C(C=CC3=C2CCCC3=O)OC(CN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C(C=CC3=C2CCCC3=O)OC(CN4C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H26N2O4/c1-34-29(33)24-11-6-5-10-23(24)28-22-12-7-13-25(32)21(22)14-15-26(28)35-27(18-31-17-16-30-19-31)20-8-3-2-4-9-20/h2-6,8-11,14-17,19,27H,7,12-13,18H2,1H3