[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylphenoxy)butanoate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylphenoxy)butanoate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C22H27NO4/c1-15-7-5-8-19(13-15)26-12-6-9-21(24)27-18(4)22(25)23-20-14-16(2)10-11-17(20)3/h5,7-8,10-11,13-14,18H,6,9,12H2,1-4H3,(H,23,25)