[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-ethoxybenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-ethoxybenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=CC=C(C=C1)OCC)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)OC(=O)C1=CC=C(C=C1)OCC)C2=CC=CC=C2

InChI

InChI=1S/C22H27NO4/c1-4-17(18-9-7-6-8-10-18)15-23-21(24)16(3)27-22(25)19-11-13-20(14-12-19)26-5-2/h6-14,16-17H,4-5,15H2,1-3H3,(H,23,24)/t16-,17+/m0/s1