methyl 2-(4-bromophenyl)carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-(4-bromophenyl)carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-(4-bromobenzoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[(4-bromophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-bromobenzoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-(4-bromobenzoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C18H16BrNO3 MolecularWeight: 374.22854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrNO3/c1-23-18(22)16-4-2-3-13-11-20(10-9-15(13)16)17(21)12-5-7-14(19)8-6-12/h2-8H,9-11H2,1H3