methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate CAS Name: 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C18H16BrNO2 MolecularWeight: 358.22914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(CC2=CC=CC=C12)C3=CC=CC=C3Br)C(=O)OC

Isomeric SMILES

CC1=C(N(CC2=CC=CC=C12)C3=CC=CC=C3Br)C(=O)OC

InChI

InChI=1S/C18H16BrNO2/c1-12-14-8-4-3-7-13(14)11-20(17(12)18(21)22-2)16-10-6-5-9-15(16)19/h3-10H,11H2,1-2H3