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

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-6,7-diethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-6,7-diethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(3-bromo-4-methoxyphenyl)-6,7-diethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-6,7-diethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-6,7-diethoxy-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C22H24BrNO6 MolecularWeight: 478.33306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(C(N(C2=O)C)C3=CC(=C(C=C3)OC)Br)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(C(N(C2=O)C)C3=CC(=C(C=C3)OC)Br)C(=O)O)OCC

InChI

InChI=1S/C22H24BrNO6/c1-5-29-17-10-13-14(11-18(17)30-6-2)21(25)24(3)20(19(13)22(26)27)12-7-8-16(28-4)15(23)9-12/h7-11,19-20H,5-6H2,1-4H3,(H,26,27)