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

Systemtic Name: [(2S)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [(1S)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [(1S)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@@H](C(=O)NC1CCCC1)OC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H22N2O4/c1-12(17(21)20-15-5-3-4-6-15)24-18(22)13(2)23-16-9-7-14(11-19)8-10-16/h7-10,12-13,15H,3-6H2,1-2H3,(H,20,21)/t12-,13-/m0/s1