methyl 4-methyl-2-[(4-oxidanylidene-4-phenyl-butanoyl)oxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(4-oxidanylidene-4-phenyl-butanoyl)oxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(4-oxo-4-phenyl-butanoyl)oxymethyl]quinoline-3-carboxylate CAS Name: 2-[(1,4-dioxo-4-phenylbutoxy)methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-oxo-4-phenylbutanoyl)oxymethyl]quinoline-3-carboxylate Traditional Name: 2-[(4-keto-4-phenyl-butanoyl)oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO5/c1-15-17-10-6-7-11-18(17)24-19(22(15)23(27)28-2)14-29-21(26)13-12-20(25)16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3