2-(4-methoxy-2-methyl-phenyl)-6-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methoxy-2-methyl-phenyl)-6-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 6-isopropyl-2-(4-methoxy-2-methyl-phenyl)quinoline-4-carboxylic acid CAS Name: 2-(4-methoxy-2-methylphenyl)-6-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methoxy-2-methylphenyl)-6-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 6-isopropyl-2-(4-methoxy-2-methyl-phenyl)cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C2=NC3=C(C=C(C=C3)C(C)C)C(=C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C2=NC3=C(C=C(C=C3)C(C)C)C(=C2)C(=O)O

InChI

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