methyl 4-[2-[[4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[[4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]ethyl]benzoate Openeye Name: methyl 4-[2-[[4-(3,4-dimethylphenyl)-4-oxo-butanoyl]amino]ethyl]benzoate CAS Name: 4-[2-[[4-(3,4-dimethylphenyl)-1,4-dioxobutyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[4-(3,4-dimethylphenyl)-4-keto-butanoyl]amino]ethyl]benzoic acid methyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)NCCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)NCCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C22H25NO4/c1-15-4-7-19(14-16(15)2)20(24)10-11-21(25)23-13-12-17-5-8-18(9-6-17)22(26)27-3/h4-9,14H,10-13H2,1-3H3,(H,23,25)