[3-(3-methoxyphenyl)isoquinolin-4-yl]methyl 4-bromanylbenzoate

Systemtic Name: [3-(3-methoxyphenyl)isoquinolin-4-yl]methyl 4-bromanylbenzoate Openeye Name: [3-(3-methoxyphenyl)-4-isoquinolyl]methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-(3-methoxyphenyl)-4-isoquinolinyl]methyl ester IUPAC Name: [3-(3-methoxyphenyl)isoquinolin-4-yl]methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-(3-methoxyphenyl)-4-isoquinolyl]methyl ester Formula: C24H18BrNO3 MolecularWeight: 448.30862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C3=CC=CC=C3C=N2)COC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C3=CC=CC=C3C=N2)COC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H18BrNO3/c1-28-20-7-4-6-17(13-20)23-22(21-8-3-2-5-18(21)14-26-23)15-29-24(27)16-9-11-19(25)12-10-16/h2-14H,15H2,1H3