4-methanoyloxy-3,4-dimethyl-2-(phenylmethoxycarbamoyl)piperidine-2-carboxylic acid; methyl (2S)-4-methanoyloxy-1-(phenylmethoxycarbamoyl)piperidine-2-carboxylate

Systemtic Name: 4-methanoyloxy-3,4-dimethyl-2-(phenylmethoxycarbamoyl)piperidine-2-carboxylic acid; methyl (2S)-4-methanoyloxy-1-(phenylmethoxycarbamoyl)piperidine-2-carboxylate Openeye Name: 2-(benzyloxycarbamoyl)-4-formyloxy-3,4-dimethyl-piperidine-2-carboxylic acid; methyl (2S)-1-(benzyloxycarbamoyl)-4-formyloxy-piperidine-2-carboxylate CAS Name: 4-formyloxy-3,4-dimethyl-2-[oxo-(phenylmethoxyamino)methyl]-2-piperidinecarboxylic acid; (2S)-4-formyloxy-1-[oxo-(phenylmethoxyamino)methyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: 4-formyloxy-3,4-dimethyl-2-(phenylmethoxycarbamoyl)piperidine-2-carboxylic acid; methyl (2S)-4-formyloxy-1-(phenylmethoxycarbamoyl)piperidine-2-carboxylate Traditional Name: 2-(benzoxycarbamoyl)-4-formyloxy-3,4-dimethyl-pipecolinic acid; (2S)-1-(benzoxycarbamoyl)-4-formyloxy-pipecolinic acid methyl ester Formula: C33H42N4O12 MolecularWeight: 686.70618

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCNC1(C(=O)NOCC2=CC=CC=C2)C(=O)O)(C)OC=O.COC(=O)C1CC(CCN1C(=O)NOCC2=CC=CC=C2)OC=O

Isomeric SMILES

CC1C(CCNC1(C(=O)NOCC2=CC=CC=C2)C(=O)O)(C)OC=O.COC(=O)[C@@H]1CC(CCN1C(=O)NOCC2=CC=CC=C2)OC=O

InChI

InChI=1S/C17H22N2O6.C16H20N2O6/c1-12-16(2,24-11-20)8-9-18-17(12,15(22)23)14(21)19-25-10-13-6-4-3-5-7-13;1-22-15(20)14-9-13(23-11-19)7-8-18(14)16(21)17-24-10-12-5-3-2-4-6-12/h3-7,11-12,18H,8-10H2,1-2H3,(H,19,21)(H,22,23);2-6,11,13-14H,7-10H2,1H3,(H,17,21)/t;13?,14-/m.0/s1