[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 1-benzofuran-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic 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] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C22H23NO4 MolecularWeight: 365.42232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=CC2=CC=CC=C2O1)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)OC(=O)C1=CC2=CC=CC=C2O1)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO4/c1-3-16(17-9-5-4-6-10-17)14-23-21(24)15(2)26-22(25)20-13-18-11-7-8-12-19(18)27-20/h4-13,15-16H,3,14H2,1-2H3,(H,23,24)/t15-,16+/m0/s1