tert-butyl 2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]-5-oxidanyl-pentanoate

Systemtic Name: tert-butyl 2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]-5-oxidanyl-pentanoate Openeye Name: tert-butyl 5-hydroxy-2-(3-isobutyl-2-oxo-1-phenethyl-pyrrolidin-3-yl)pentanoate CAS Name: 5-hydroxy-2-[3-(2-methylpropyl)-2-oxo-1-phenethyl-3-pyrrolidinyl]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-hydroxy-2-[3-(2-methylpropyl)-2-oxo-1-phenethylpyrrolidin-3-yl]pentanoate Traditional Name: 5-hydroxy-2-(3-isobutyl-2-keto-1-phenethyl-pyrrolidin-3-yl)valeric acid tert-butyl ester Formula: C25H39NO4 MolecularWeight: 417.58146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CCN(C1=O)CCC2=CC=CC=C2)C(CCCO)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC1(CCN(C1=O)CCC2=CC=CC=C2)C(CCCO)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H39NO4/c1-19(2)18-25(21(12-9-17-27)22(28)30-24(3,4)5)14-16-26(23(25)29)15-13-20-10-7-6-8-11-20/h6-8,10-11,19,21,27H,9,12-18H2,1-5H3