methyl 2-[[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]amino]cyclohexene-1-carboxylate

Systemtic Name: methyl 2-[[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]amino]cyclohexene-1-carboxylate Openeye Name: methyl 2-[[(1S)-2-amino-2-oxo-1-phenyl-ethyl]amino]cyclohexene-1-carboxylate CAS Name: 2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]cyclohexene-1-carboxylate Traditional Name: 2-[[(1S)-2-amino-2-keto-1-phenyl-ethyl]amino]cyclohexene-1-carboxylic acid methyl ester Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CCCC1)NC(C2=CC=CC=C2)C(=O)N

Isomeric SMILES

COC(=O)C1=C(CCCC1)N[C@@H](C2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C16H20N2O3/c1-21-16(20)12-9-5-6-10-13(12)18-14(15(17)19)11-7-3-2-4-8-11/h2-4,7-8,14,18H,5-6,9-10H2,1H3,(H2,17,19)/t14-/m0/s1