6,7-diethoxy-3-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 6,7-diethoxy-3-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 6,7-diethoxy-3-(3-ethoxy-4-hydroxy-phenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 6,7-diethoxy-3-(3-ethoxy-4-hydroxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 6,7-diethoxy-3-(3-ethoxy-4-hydroxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 6,7-diethoxy-3-(3-ethoxy-4-hydroxy-phenyl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C23H27NO7 MolecularWeight: 429.46298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C3=CC(=C(C=C3C(=O)N2C)OCC)OCC)C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(C3=CC(=C(C=C3C(=O)N2C)OCC)OCC)C(=O)O)O

InChI

InChI=1S/C23H27NO7/c1-5-29-17-10-13(8-9-16(17)25)21-20(23(27)28)14-11-18(30-6-2)19(31-7-3)12-15(14)22(26)24(21)4/h8-12,20-21,25H,5-7H2,1-4H3,(H,27,28)