tert-butyl 4-[1-(3,3-dimethylbutanoyl)-2-(phenylmethoxycarbonylamino)piperidin-4-yl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(3,3-dimethylbutanoyl)-2-(phenylmethoxycarbonylamino)piperidin-4-yl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(benzyloxycarbonylamino)-1-(3,3-dimethylbutanoyl)-4-piperidyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[1-(3,3-dimethyl-1-oxobutyl)-2-(phenylmethoxycarbonylamino)-4-piperidinyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(3,3-dimethylbutanoyl)-2-(phenylmethoxycarbonylamino)piperidin-4-yl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[2-(benzyloxycarbonylamino)-1-(3,3-dimethylbutanoyl)-4-piperidyl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C28H42N4O6 MolecularWeight: 530.65628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCC(CC1NC(=O)OCC2=CC=CC=C2)N3CCN(CC3=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)CC(=O)N1CCC(CC1NC(=O)OCC2=CC=CC=C2)N3CCN(CC3=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H42N4O6/c1-27(2,3)17-23(33)32-13-12-21(16-22(32)29-25(35)37-19-20-10-8-7-9-11-20)31-15-14-30(18-24(31)34)26(36)38-28(4,5)6/h7-11,21-22H,12-19H2,1-6H3,(H,29,35)