tert-butyl 2-azido-2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]ethanoate

Systemtic Name: tert-butyl 2-azido-2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]ethanoate Openeye Name: tert-butyl 2-azido-2-(3-isobutyl-2-oxo-1-phenethyl-pyrrolidin-3-yl)acetate CAS Name: 2-azido-2-[3-(2-methylpropyl)-2-oxo-1-phenethyl-3-pyrrolidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-azido-2-[3-(2-methylpropyl)-2-oxo-1-phenethylpyrrolidin-3-yl]acetate Traditional Name: 2-azido-2-(3-isobutyl-2-keto-1-phenethyl-pyrrolidin-3-yl)acetic acid tert-butyl ester Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CCN(C1=O)CCC2=CC=CC=C2)C(C(=O)OC(C)(C)C)N=[N+]=[N-]

Isomeric SMILES

CC(C)CC1(CCN(C1=O)CCC2=CC=CC=C2)C(C(=O)OC(C)(C)C)N=[N+]=[N-]

InChI

InChI=1S/C22H32N4O3/c1-16(2)15-22(18(24-25-23)19(27)29-21(3,4)5)12-14-26(20(22)28)13-11-17-9-7-6-8-10-17/h6-10,16,18H,11-15H2,1-5H3