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

Systemtic Name: methyl 2-[[4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(3,4-dimethylphenyl)-4-oxo-butanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-(3,4-dimethylphenyl)-1,4-dioxobutoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(3,4-dimethylphenyl)-4-keto-butanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C)C

InChI

InChI=1S/C25H25NO5/c1-15-9-10-18(13-16(15)2)22(27)11-12-23(28)31-14-21-24(25(29)30-4)17(3)19-7-5-6-8-20(19)26-21/h5-10,13H,11-12,14H2,1-4H3