methyl 3-[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]propanoate

Systemtic Name: methyl 3-[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]propanoate Openeye Name: methyl 3-[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]propanoate CAS Name: 3-[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]propanoate Traditional Name: 3-[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]propionic acid methyl ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C=CC2=C1CCCC2=O)OC(CN3C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCC1=C(C=CC2=C1CCCC2=O)OC(CN3C=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4/c1-30-25(29)13-11-21-19-8-5-9-22(28)20(19)10-12-23(21)31-24(16-27-15-14-26-17-27)18-6-3-2-4-7-18/h2-4,6-7,10,12,14-15,17,24H,5,8-9,11,13,16H2,1H3