(phenylmethyl) 7-bromanylquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 7-bromanylquinoline-2-carboxylate Openeye Name: benzyl 7-bromoquinoline-2-carboxylate CAS Name: 7-bromo-2-quinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-bromoquinoline-2-carboxylate Traditional Name: 7-bromoquinaldic acid benzyl ester Formula: C17H12BrNO2 MolecularWeight: 342.18668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=NC3=C(C=CC(=C3)Br)C=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=NC3=C(C=CC(=C3)Br)C=C2

InChI

InChI=1S/C17H12BrNO2/c18-14-8-6-13-7-9-15(19-16(13)10-14)17(20)21-11-12-4-2-1-3-5-12/h1-10H,11H2