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

Systemtic Name: methyl 4-[1-(4-bromophenyl)-6,7-diethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoate Openeye Name: methyl 4-[1-(4-bromophenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate CAS Name: 4-[1-(4-bromophenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(4-bromophenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate Traditional Name: 4-[1-(4-bromophenyl)-6,7-diethoxy-3-keto-1,4-dihydroisoquinolin-2-yl]benzoic acid methyl ester Formula: C27H26BrNO5 MolecularWeight: 524.40304

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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)OC)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)OC)C4=CC=C(C=C4)Br)OCC

InChI

InChI=1S/C27H26BrNO5/c1-4-33-23-14-19-15-25(30)29(21-12-8-18(9-13-21)27(31)32-3)26(17-6-10-20(28)11-7-17)22(19)16-24(23)34-5-2/h6-14,16,26H,4-5,15H2,1-3H3