3-[(6-methoxy-4-propan-2-yloxy-quinolin-3-yl)methylperoxy]-2-[(2-methylphenyl)methyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[(6-methoxy-4-propan-2-yloxy-quinolin-3-yl)methylperoxy]-2-[(2-methylphenyl)methyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[(4-isopropoxy-6-methoxy-3-quinolyl)methylperoxy]-2-(o-tolylmethyl)-3-oxo-propanoic acid CAS Name: 3-[(6-methoxy-4-propan-2-yloxy-3-quinolinyl)methyldioxy]-2-[(2-methylphenyl)methyl]-3-oxopropanoic acid IUPAC Name: 3-[(6-methoxy-4-propan-2-yloxyquinolin-3-yl)methylperoxy]-2-[(2-methylphenyl)methyl]-3-oxopropanoic acid Traditional Name: 3-[(4-isopropoxy-6-methoxy-3-quinolyl)methylperoxy]-3-keto-2-(2-methylbenzyl)propionic acid Formula: C25H27NO7 MolecularWeight: 453.48438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C(=O)O)C(=O)OOCC2=CN=C3C=CC(=CC3=C2OC(C)C)OC

Isomeric SMILES

CC1=CC=CC=C1CC(C(=O)O)C(=O)OOCC2=CN=C3C=CC(=CC3=C2OC(C)C)OC

InChI

InChI=1S/C25H27NO7/c1-15(2)32-23-18(13-26-22-10-9-19(30-4)12-20(22)23)14-31-33-25(29)21(24(27)28)11-17-8-6-5-7-16(17)3/h5-10,12-13,15,21H,11,14H2,1-4H3,(H,27,28)