2-(4-butoxyphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: 2-(4-butoxyphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: 2-(4-butoxyphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-butoxyphenyl)-6-methyl-4-quinolinecarboxylate IUPAC Name: 2-(4-butoxyphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-butoxyphenyl)-6-methyl-cinchoninate Formula: C21H20NO3- MolecularWeight: 334.3884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)[O-]

InChI

InChI=1S/C21H21NO3/c1-3-4-11-25-16-8-6-15(7-9-16)20-13-18(21(23)24)17-12-14(2)5-10-19(17)22-20/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24)/p-1