2-(4-methoxy-3-methyl-phenyl)-8-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methoxy-3-methyl-phenyl)-8-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 8-isopropyl-2-(4-methoxy-3-methyl-phenyl)quinoline-4-carboxylic acid CAS Name: 2-(4-methoxy-3-methylphenyl)-8-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methoxy-3-methylphenyl)-8-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 8-isopropyl-2-(4-methoxy-3-methyl-phenyl)cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=C(C=CC=C3C(C)C)C(=C2)C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=C(C=CC=C3C(C)C)C(=C2)C(=O)O)OC

InChI

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