methyl 4-[[[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[4-(2,5-dimethylphenyl)-4-oxo-butanoyl]amino]methyl]benzoate CAS Name: 4-[[[4-(2,5-dimethylphenyl)-1,4-dioxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]methyl]benzoate Traditional Name: 4-[[[4-(2,5-dimethylphenyl)-4-keto-butanoyl]amino]methyl]benzoic acid methyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H23NO4/c1-14-4-5-15(2)18(12-14)19(23)10-11-20(24)22-13-16-6-8-17(9-7-16)21(25)26-3/h4-9,12H,10-11,13H2,1-3H3,(H,22,24)