tert-butyl 4-[4-[4-[(3R)-3-oxidanylpyrrolidin-1-yl]carbonylphenyl]butyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[4-[(3R)-3-oxidanylpyrrolidin-1-yl]carbonylphenyl]butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]butyl]piperidine-1-carboxylate CAS Name: 4-[4-[4-[[(3R)-3-hydroxy-1-pyrrolidinyl]-oxomethyl]phenyl]butyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]butyl]piperidine-1-carboxylate Traditional Name: 4-[4-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]butyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H38N2O4 MolecularWeight: 430.58022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCCC2=CC=C(C=C2)C(=O)N3CCC(C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCCC2=CC=C(C=C2)C(=O)N3CC[C@H](C3)O

InChI

InChI=1S/C25H38N2O4/c1-25(2,3)31-24(30)26-15-12-20(13-16-26)7-5-4-6-19-8-10-21(11-9-19)23(29)27-17-14-22(28)18-27/h8-11,20,22,28H,4-7,12-18H2,1-3H3/t22-/m1/s1