2-(3-methoxy-4-propan-2-yloxy-phenyl)-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-methoxy-4-propan-2-yloxy-phenyl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-isopropoxy-3-methoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(3-methoxy-4-propan-2-yloxyphenyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-isopropoxy-3-methoxy-phenyl)-6-methyl-cinchoninic acid Formula: C21H21NO4 MolecularWeight: 351.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=C(C=C3)OC(C)C)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=C(C=C3)OC(C)C)OC

InChI

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