[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4/c1-16(23)21-18(17-10-6-5-7-11-17)14-20(25)26-15-19(24)22-12-8-3-2-4-9-13-22/h5-7,10-11,18H,2-4,8-9,12-15H2,1H3,(H,21,23)/t18-/m1/s1