methyl (1S,2R)-2-[[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]amino]cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R)-2-[[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]amino]cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R)-2-[[(1S)-2-amino-2-oxo-1-phenyl-ethyl]amino]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[[(1S)-2-amino-2-keto-1-phenyl-ethyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCC1NC(C2=CC=CC=C2)C(=O)N

Isomeric SMILES

COC(=O)[C@H]1CCCC[C@H]1N[C@@H](C2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C16H22N2O3/c1-21-16(20)12-9-5-6-10-13(12)18-14(15(17)19)11-7-3-2-4-8-11/h2-4,7-8,12-14,18H,5-6,9-10H2,1H3,(H2,17,19)/t12-,13+,14-/m0/s1