methyl (2S)-2-[[(2R,4R,5R)-4-(3-hydroxyphenyl)-4,5-dimethyl-piperidin-2-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2R,4R,5R)-4-(3-hydroxyphenyl)-4,5-dimethyl-piperidin-2-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2R,4R,5R)-4-(3-hydroxyphenyl)-4,5-dimethyl-piperidine-2-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[(2R,4R,5R)-4-(3-hydroxyphenyl)-4,5-dimethyl-2-piperidinyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R,4R,5R)-4-(3-hydroxyphenyl)-4,5-dimethylpiperidine-2-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2R,4R,5R)-4-(3-hydroxyphenyl)-4,5-dimethyl-pipecoloyl]amino]-3-methyl-butyric acid methyl ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CC1(C)C2=CC(=CC=C2)O)C(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

C[C@H]1CN[C@H](C[C@@]1(C)C2=CC(=CC=C2)O)C(=O)N[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C20H30N2O4/c1-12(2)17(19(25)26-5)22-18(24)16-10-20(4,13(3)11-21-16)14-7-6-8-15(23)9-14/h6-9,12-13,16-17,21,23H,10-11H2,1-5H3,(H,22,24)/t13-,16+,17-,20+/m0/s1