2-(3-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: 2-(3-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylate Openeye Name: 2-(3-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-6,8-dimethyl-4-quinolinecarboxylate IUPAC Name: 2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)-6,8-dimethyl-cinchoninate Formula: C18H13BrNO2- MolecularWeight: 355.20532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)[O-])C

InChI

InChI=1S/C18H14BrNO2/c1-10-6-11(2)17-14(7-10)15(18(21)22)9-16(20-17)12-4-3-5-13(19)8-12/h3-9H,1-2H3,(H,21,22)/p-1