tert-butyl (3S,4S)-3-[[1-(4-chlorophenyl)carbonylpiperidin-4-yl]amino]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S,4S)-3-[[1-(4-chlorophenyl)carbonylpiperidin-4-yl]amino]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S,4S)-3-[[1-(4-chlorobenzoyl)-4-piperidyl]amino]-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: (3S,4S)-3-[[1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]amino]-4-hydroxy-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-3-[[1-(4-chlorobenzoyl)piperidin-4-yl]amino]-4-hydroxypyrrolidine-1-carboxylate Traditional Name: (3S,4S)-3-[[1-(4-chlorobenzoyl)-4-piperidyl]amino]-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H30ClN3O4 MolecularWeight: 423.9336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)O)NC2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)O)NC2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H30ClN3O4/c1-21(2,3)29-20(28)25-12-17(18(26)13-25)23-16-8-10-24(11-9-16)19(27)14-4-6-15(22)7-5-14/h4-7,16-18,23,26H,8-13H2,1-3H3/t17-,18-/m0/s1