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

Systemtic Name: 3-(3-ethoxy-2-oxidanyl-phenyl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(3-ethoxy-2-hydroxy-phenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(3-ethoxy-2-hydroxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(3-ethoxy-2-hydroxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(3-ethoxy-2-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=CC=CC(=C1O)C2C(C3=CC(=C(C=C3C(=O)N2C)OC)OC)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1O)C2C(C3=CC(=C(C=C3C(=O)N2C)OC)OC)C(=O)O

InChI

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