ethyl 6,7-dimethoxy-1-[3-(2-methyl-3-oxidanylidene-butan-2-yl)oxyphenyl]carbonyl-isoquinoline-4-carboxylate

Systemtic Name: ethyl 6,7-dimethoxy-1-[3-(2-methyl-3-oxidanylidene-butan-2-yl)oxyphenyl]carbonyl-isoquinoline-4-carboxylate Openeye Name: ethyl 1-[3-(1,1-dimethyl-2-oxo-propoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylate CAS Name: 6,7-dimethoxy-1-[[3-(2-methyl-3-oxobutan-2-yl)oxyphenyl]-oxomethyl]-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethoxy-1-[3-(2-methyl-3-oxobutan-2-yl)oxybenzoyl]isoquinoline-4-carboxylate Traditional Name: 1-[3-(2-keto-1,1-dimethyl-propoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid ethyl ester Formula: C26H27NO7 MolecularWeight: 465.49508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=CC(=CC=C3)OC(C)(C)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=CC(=CC=C3)OC(C)(C)C(=O)C

InChI

InChI=1S/C26H27NO7/c1-7-33-25(30)20-14-27-23(19-13-22(32-6)21(31-5)12-18(19)20)24(29)16-9-8-10-17(11-16)34-26(3,4)15(2)28/h8-14H,7H2,1-6H3