tert-butyl 2,5-dimethyl-4-[methyl-(phenylmethyl)amino]-2-oxidanyl-3-oxidanylidene-heptanoate

Systemtic Name: tert-butyl 2,5-dimethyl-4-[methyl-(phenylmethyl)amino]-2-oxidanyl-3-oxidanylidene-heptanoate Openeye Name: tert-butyl 4-[benzyl(methyl)amino]-2-hydroxy-2,5-dimethyl-3-oxo-heptanoate CAS Name: 2-hydroxy-2,5-dimethyl-4-[methyl-(phenylmethyl)amino]-3-oxoheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[benzyl(methyl)amino]-2-hydroxy-2,5-dimethyl-3-oxoheptanoate Traditional Name: 4-[benzyl(methyl)amino]-2-hydroxy-3-keto-2,5-dimethyl-enanthic acid tert-butyl ester Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C(C)(C(=O)OC(C)(C)C)O)N(C)CC1=CC=CC=C1

Isomeric SMILES

CCC(C)C(C(=O)C(C)(C(=O)OC(C)(C)C)O)N(C)CC1=CC=CC=C1

InChI

InChI=1S/C21H33NO4/c1-8-15(2)17(22(7)14-16-12-10-9-11-13-16)18(23)21(6,25)19(24)26-20(3,4)5/h9-13,15,17,25H,8,14H2,1-7H3