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

Systemtic Name: methyl 4-methyl-2-[[4-(3-oxidanylidenebutyl)phenoxy]methyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[4-(3-oxobutyl)phenoxy]methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(3-oxobutyl)phenoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC3=CC=C(C=C3)CCC(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC3=CC=C(C=C3)CCC(=O)C)C(=O)OC

InChI

InChI=1S/C23H23NO4/c1-15(25)8-9-17-10-12-18(13-11-17)28-14-21-22(23(26)27-3)16(2)19-6-4-5-7-20(19)24-21/h4-7,10-13H,8-9,14H2,1-3H3