[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCCCCCC1)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCCCCCC1)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O5/c1-16(21-18(23)14-26-17-10-6-5-7-11-17)20(25)27-15-19(24)22-12-8-3-2-4-9-13-22/h5-7,10-11,16H,2-4,8-9,12-15H2,1H3,(H,21,23)/t16-/m0/s1