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

Systemtic Name: 3-(3-ethoxy-4-oxidanyl-phenyl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(3-ethoxy-4-hydroxy-phenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(3-ethoxy-4-hydroxy-phenyl)-1-keto-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO7/c1-5-29-15-8-11(6-7-14(15)23)19-18(21(25)26)12-9-16(27-3)17(28-4)10-13(12)20(24)22(19)2/h6-10,18-19,23H,5H2,1-4H3,(H,25,26)