6,8-dimethyl-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxylate

Systemtic Name: 6,8-dimethyl-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxylate Openeye Name: 2-(2-isopropoxyphenyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-(2-propan-2-yloxyphenyl)-4-quinolinecarboxylate IUPAC Name: 6,8-dimethyl-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(2-isopropoxyphenyl)-6,8-dimethyl-cinchoninate Formula: C21H20NO3- MolecularWeight: 334.3884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3OC(C)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3OC(C)C)C(=O)[O-])C

InChI

InChI=1S/C21H21NO3/c1-12(2)25-19-8-6-5-7-15(19)18-11-17(21(23)24)16-10-13(3)9-14(4)20(16)22-18/h5-12H,1-4H3,(H,23,24)/p-1