2-(3-butoxyphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: 2-(3-butoxyphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: 2-(3-butoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(3-butoxyphenyl)-8-methyl-4-quinolinecarboxylate IUPAC Name: 2-(3-butoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(3-butoxyphenyl)-8-methyl-cinchoninate Formula: C21H20NO3- MolecularWeight: 334.3884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)[O-]

InChI

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