2-(3-methoxy-2-propoxy-phenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: 2-(3-methoxy-2-propoxy-phenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: 2-(3-methoxy-2-propoxy-phenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(3-methoxy-2-propoxyphenyl)-8-methyl-4-quinolinecarboxylate IUPAC Name: 2-(3-methoxy-2-propoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(3-methoxy-2-propoxy-phenyl)-8-methyl-cinchoninate Formula: C21H20NO4- MolecularWeight: 350.3878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OC)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)[O-]

Isomeric SMILES

CCCOC1=C(C=CC=C1OC)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)[O-]

InChI

InChI=1S/C21H21NO4/c1-4-11-26-20-15(9-6-10-18(20)25-3)17-12-16(21(23)24)14-8-5-7-13(2)19(14)22-17/h5-10,12H,4,11H2,1-3H3,(H,23,24)/p-1