[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-[(4-chlorobenzoyl)amino]propanoate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate Traditional Name: 3-[(4-chlorobenzoyl)amino]propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H23ClN2O4 MolecularWeight: 366.83922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H23ClN2O4/c19-15-7-5-14(6-8-15)18(24)20-10-9-17(23)25-13-16(22)21-11-3-1-2-4-12-21/h5-8H,1-4,9-13H2,(H,20,24)