ethyl (1R,2S)-2-[[(2S)-2-(dimethylamino)-3-phenyl-propanoyl]amino]cyclohexane-1-carboxylate

Systemtic Name: ethyl (1R,2S)-2-[[(2S)-2-(dimethylamino)-3-phenyl-propanoyl]amino]cyclohexane-1-carboxylate Openeye Name: ethyl (1R,2S)-2-[[(2S)-2-(dimethylamino)-3-phenyl-propanoyl]amino]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[(2S)-2-(dimethylamino)-1-oxo-3-phenylpropyl]amino]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S)-2-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[[(2S)-2-(dimethylamino)-3-phenyl-propanoyl]amino]cyclohexanecarboxylic acid ethyl ester Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCC1NC(=O)C(CC2=CC=CC=C2)N(C)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)N(C)C

InChI

InChI=1S/C20H30N2O3/c1-4-25-20(24)16-12-8-9-13-17(16)21-19(23)18(22(2)3)14-15-10-6-5-7-11-15/h5-7,10-11,16-18H,4,8-9,12-14H2,1-3H3,(H,21,23)/t16-,17+,18+/m1/s1