phenyl 3-butoxy-1-methyl-2-oxidanyl-4-oxidanylidene-quinoline-6-carboxylate

Systemtic Name: phenyl 3-butoxy-1-methyl-2-oxidanyl-4-oxidanylidene-quinoline-6-carboxylate Openeye Name: phenyl 3-butoxy-2-hydroxy-1-methyl-4-oxo-quinoline-6-carboxylate CAS Name: 3-butoxy-2-hydroxy-1-methyl-4-oxo-6-quinolinecarboxylic acid phenyl ester IUPAC Name: phenyl 3-butoxy-2-hydroxy-1-methyl-4-oxoquinoline-6-carboxylate Traditional Name: 3-butoxy-2-hydroxy-4-keto-1-methyl-quinoline-6-carboxylic acid phenyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=CC=C3)C)O

Isomeric SMILES

CCCCOC1=C(N(C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=CC=C3)C)O

InChI

InChI=1S/C21H21NO5/c1-3-4-12-26-19-18(23)16-13-14(10-11-17(16)22(2)20(19)24)21(25)27-15-8-6-5-7-9-15/h5-11,13,24H,3-4,12H2,1-2H3