ethyl 1-(3-bromophenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylate Openeye Name: ethyl 1-(3-bromobenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylate CAS Name: 1-[(3-bromophenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromobenzoyl)-6,7-dimethoxyisoquinoline-4-carboxylate Traditional Name: 1-(3-bromobenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid ethyl ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H18BrNO5/c1-4-28-21(25)16-11-23-19(20(24)12-6-5-7-13(22)8-12)15-10-18(27-3)17(26-2)9-14(15)16/h5-11H,4H2,1-3H3