[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C19H25ClN2O4 MolecularWeight: 380.8658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCCCCCC1)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCCCCCC1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H25ClN2O4/c1-14(21-18(24)15-7-9-16(20)10-8-15)19(25)26-13-17(23)22-11-5-3-2-4-6-12-22/h7-10,14H,2-6,11-13H2,1H3,(H,21,24)/t14-/m0/s1