ethyl (2S)-2-[[(2S)-1-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-1-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl (2S)-2-[[(1S)-2-cyclohexyl-1-methyl-2-oxo-ethyl]amino]-4-phenyl-butanoate CAS Name: (2S)-2-[[(2S)-1-cyclohexyl-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-1-cyclohexyl-1-oxopropan-2-yl]amino]-4-phenylbutanoate Traditional Name: (2S)-2-[[(1S)-2-cyclohexyl-2-keto-1-methyl-ethyl]amino]-4-phenyl-butyric acid ethyl ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)C2CCCCC2

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)C2CCCCC2

InChI

InChI=1S/C21H31NO3/c1-3-25-21(24)19(15-14-17-10-6-4-7-11-17)22-16(2)20(23)18-12-8-5-9-13-18/h4,6-7,10-11,16,18-19,22H,3,5,8-9,12-15H2,1-2H3/t16-,19-/m0/s1