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

Systemtic Name: ethyl 4-[1-(4-bromophenyl)-6,7-diethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H28BrNO5 MolecularWeight: 538.42962

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

InChI

InChI=1S/C28H28BrNO5/c1-4-33-24-15-20-16-26(31)30(22-13-9-19(10-14-22)28(32)35-6-3)27(18-7-11-21(29)12-8-18)23(20)17-25(24)34-5-2/h7-15,17,27H,4-6,16H2,1-3H3