butyl 4-[(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]oxybenzoate

Systemtic Name: butyl 4-[(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]oxybenzoate Openeye Name: butyl 4-[(1S)-2-(3-acetylanilino)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 4-[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]oxybenzoic acid butyl ester IUPAC Name: butyl 4-[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-2-(3-acetylanilino)-2-keto-1-methyl-ethoxy]benzoic acid butyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC(C)C(=O)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)O[C@@H](C)C(=O)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C22H25NO5/c1-4-5-13-27-22(26)17-9-11-20(12-10-17)28-16(3)21(25)23-19-8-6-7-18(14-19)15(2)24/h6-12,14,16H,4-5,13H2,1-3H3,(H,23,25)/t16-/m0/s1