ethyl 4-methyl-2-[[4-(3-oxidanylidenebutyl)phenoxy]methyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[4-(3-oxidanylidenebutyl)phenoxy]methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-(3-oxobutyl)phenoxy]methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(3-oxobutyl)phenoxy]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-(3-oxobutyl)phenoxy]methyl]quinoline-3-carboxylate Traditional Name: 2-[[4-(3-ketobutyl)phenoxy]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC3=CC=C(C=C3)CCC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC3=CC=C(C=C3)CCC(=O)C)C

InChI

InChI=1S/C24H25NO4/c1-4-28-24(27)23-17(3)20-7-5-6-8-21(20)25-22(23)15-29-19-13-11-18(12-14-19)10-9-16(2)26/h5-8,11-14H,4,9-10,15H2,1-3H3