[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(2-chlorobenzoyl)amino]propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H23ClN2O4 MolecularWeight: 366.83922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C18H23ClN2O4/c1-13(20-17(23)14-8-4-5-9-15(14)19)18(24)25-12-16(22)21-10-6-2-3-7-11-21/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,20,23)/t13-/m0/s1