3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6,7-diethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6,7-diethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6,7-diethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-6,7-diethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-6,7-diethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6,7-diethoxy-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C22H24BrNO7 MolecularWeight: 494.33246

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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)Br)O)OC)C(=O)O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO7/c1-5-30-15-9-12-13(10-16(15)31-6-2)21(26)24(3)19(18(12)22(27)28)11-7-14(23)20(25)17(8-11)29-4/h7-10,18-19,25H,5-6H2,1-4H3,(H,27,28)