4-[1-(4-bromophenyl)-6,7-diethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoic acid

Systemtic Name: 4-[1-(4-bromophenyl)-6,7-diethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoic acid Openeye Name: 4-[1-(4-bromophenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid CAS Name: 4-[1-(4-bromophenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid IUPAC Name: 4-[1-(4-bromophenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid Traditional Name: 4-[1-(4-bromophenyl)-6,7-diethoxy-3-keto-1,4-dihydroisoquinolin-2-yl]benzoic acid Formula: C26H24BrNO5 MolecularWeight: 510.37646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Br)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Br)OCC

InChI

InChI=1S/C26H24BrNO5/c1-3-32-22-13-18-14-24(29)28(20-11-7-17(8-12-20)26(30)31)25(16-5-9-19(27)10-6-16)21(18)15-23(22)33-4-2/h5-13,15,25H,3-4,14H2,1-2H3,(H,30,31)