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

Systemtic Name: 2-(3-methoxy-4-propan-2-yloxy-phenyl)-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-isopropoxy-3-methoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-(3-methoxy-4-propan-2-yloxyphenyl)-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-methoxy-4-propan-2-yloxyphenyl)-8-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-isopropoxy-3-methoxy-phenyl)-8-methyl-cinchoninic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC(=C(C=C3)OC(C)C)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC(=C(C=C3)OC(C)C)OC

InChI

InChI=1S/C21H21NO4/c1-12(2)26-18-9-8-14(10-19(18)25-4)17-11-16(21(23)24)15-7-5-6-13(3)20(15)22-17/h5-12H,1-4H3,(H,23,24)