6-bromanyl-3-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-3-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxylate Openeye Name: 6-bromo-2-(4-isopropoxyphenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-3-methyl-2-(4-propan-2-yloxyphenyl)-4-quinolinecarboxylate IUPAC Name: 6-bromo-3-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-isopropoxyphenyl)-3-methyl-cinchoninate Formula: C20H17BrNO3- MolecularWeight: 399.25788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])Br)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])Br)C3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C20H18BrNO3/c1-11(2)25-15-7-4-13(5-8-15)19-12(3)18(20(23)24)16-10-14(21)6-9-17(16)22-19/h4-11H,1-3H3,(H,23,24)/p-1