[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-(2,5-dimethylphenoxy)propanoate

Systemtic Name: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-(2,5-dimethylphenoxy)propanoate Openeye Name: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid [(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)OC(C)C(=O)NC2CCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)O[C@@H](C)C(=O)NC2CCCCC2

InChI

InChI=1S/C20H29NO4/c1-14-9-10-15(2)18(13-14)24-12-11-19(22)25-16(3)20(23)21-17-7-5-4-6-8-17/h9-10,13,16-17H,4-8,11-12H2,1-3H3,(H,21,23)/t16-/m0/s1