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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=C(C=C3)Br)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=C(C=C3)Br)C)C(=O)[O-]

InChI

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