[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H26N2O4/c1-14(19(23)22-17-7-5-3-4-6-8-17)26-20(24)15(2)25-18-11-9-16(13-21)10-12-18/h9-12,14-15,17H,3-8H2,1-2H3,(H,22,23)/t14-,15+/m1/s1