tert-butyl 3-[2-(2,2-dimethylpropanoylamino)pyridin-3-yl]-3-oxidanyl-3-phenyl-propanoate

Systemtic Name: tert-butyl 3-[2-(2,2-dimethylpropanoylamino)pyridin-3-yl]-3-oxidanyl-3-phenyl-propanoate Openeye Name: tert-butyl 3-[2-(2,2-dimethylpropanoylamino)-3-pyridyl]-3-hydroxy-3-phenyl-propanoate CAS Name: 3-[2-[(2,2-dimethyl-1-oxopropyl)amino]-3-pyridinyl]-3-hydroxy-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(2,2-dimethylpropanoylamino)pyridin-3-yl]-3-hydroxy-3-phenylpropanoate Traditional Name: 3-hydroxy-3-phenyl-3-[2-(pivaloylamino)-3-pyridyl]propionic acid tert-butyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=C(C=CC=N1)C(CC(=O)OC(C)(C)C)(C2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)C(=O)NC1=C(C=CC=N1)C(CC(=O)OC(C)(C)C)(C2=CC=CC=C2)O

InChI

InChI=1S/C23H30N2O4/c1-21(2,3)20(27)25-19-17(13-10-14-24-19)23(28,16-11-8-7-9-12-16)15-18(26)29-22(4,5)6/h7-14,28H,15H2,1-6H3,(H,24,25,27)