tert-butyl 2-methyl-4-[(2R,3R)-6-oxidanylidene-2-phenyl-1-(phenylmethyl)piperidin-3-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-methyl-4-[(2R,3R)-6-oxidanylidene-2-phenyl-1-(phenylmethyl)piperidin-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2R,3R)-1-benzyl-6-oxo-2-phenyl-3-piperidyl]-2-methyl-piperazine-1-carboxylate CAS Name: 2-methyl-4-[(2R,3R)-6-oxo-2-phenyl-1-(phenylmethyl)-3-piperidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2R,3R)-1-benzyl-6-oxo-2-phenylpiperidin-3-yl]-2-methylpiperazine-1-carboxylate Traditional Name: 4-[(2R,3R)-1-benzyl-6-keto-2-phenyl-3-piperidyl]-2-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OC(C)(C)C)C2CCC(=O)N(C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)OC(C)(C)C)[C@@H]2CCC(=O)N([C@@H]2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H37N3O3/c1-21-19-29(17-18-30(21)27(33)34-28(2,3)4)24-15-16-25(32)31(20-22-11-7-5-8-12-22)26(24)23-13-9-6-10-14-23/h5-14,21,24,26H,15-20H2,1-4H3/t21?,24-,26-/m1/s1