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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4/c1-15(20-18(23)16-10-6-5-7-11-16)19(24)25-14-17(22)21-12-8-3-2-4-9-13-21/h5-7,10-11,15H,2-4,8-9,12-14H2,1H3,(H,20,23)/t15-/m0/s1