[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylphenoxy)butanoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylphenoxy)butanoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 4-(4-acetylphenoxy)butanoate CAS Name: 4-(4-acetylphenoxy)butanoic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate Traditional Name: 4-(4-acetylphenoxy)butyric acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)CCCOC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)CCCOC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C22H25NO5/c1-15-6-4-7-19(14-15)23-22(26)17(3)28-21(25)8-5-13-27-20-11-9-18(10-12-20)16(2)24/h4,6-7,9-12,14,17H,5,8,13H2,1-3H3,(H,23,26)/t17-/m0/s1