methyl 6-butyl-4-oxidanylidene-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate

Systemtic Name: methyl 6-butyl-4-oxidanylidene-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate Openeye Name: methyl 6-butyl-4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate CAS Name: 6-butyl-4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 6-butyl-4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate Traditional Name: 6-butyl-4-keto-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylic acid methyl ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OC)OCCOC3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OC)OCCOC3=CC=CC=C3

InChI

InChI=1S/C23H25NO5/c1-3-4-8-16-13-18-20(24-15-19(22(18)25)23(26)27-2)14-21(16)29-12-11-28-17-9-6-5-7-10-17/h5-7,9-10,13-15H,3-4,8,11-12H2,1-2H3,(H,24,25)