(phenylmethyl) (2S)-2-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]carbonylamino]-3-methyl-butanoate Openeye Name: benzyl (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[(2R,6S)-2,6-dimethyl-1-piperidinyl]-oxomethyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-methyl-butyric acid benzyl ester Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)NC(C(C)C)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

C[C@@H]1CCC[C@@H](N1C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C20H30N2O3/c1-14(2)18(19(23)25-13-17-11-6-5-7-12-17)21-20(24)22-15(3)9-8-10-16(22)4/h5-7,11-12,14-16,18H,8-10,13H2,1-4H3,(H,21,24)/t15-,16+,18-/m0/s1