[(3R,5S)-2,2,6,6-tetramethyl-5-[methyl(phenylcarbonyl)amino]heptan-3-yl] 2-oxidanylidene-2-phenyl-ethanoate

Systemtic Name: [(3R,5S)-2,2,6,6-tetramethyl-5-[methyl(phenylcarbonyl)amino]heptan-3-yl] 2-oxidanylidene-2-phenyl-ethanoate Openeye Name: [(1R,3S)-3-[benzoyl(methyl)amino]-1-tert-butyl-4,4-dimethyl-pentyl] 2-oxo-2-phenyl-acetate CAS Name: 2-oxo-2-phenylacetic acid [(3R,5S)-5-[benzoyl(methyl)amino]-2,2,6,6-tetramethylheptan-3-yl] ester IUPAC Name: [(3R,5S)-5-[benzoyl(methyl)amino]-2,2,6,6-tetramethylheptan-3-yl] 2-oxo-2-phenylacetate Traditional Name: 2-keto-2-phenyl-acetic acid [(1R,3S)-3-[benzoyl(methyl)amino]-1-tert-butyl-4,4-dimethyl-pentyl] ester Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(C(C)(C)C)OC(=O)C(=O)C1=CC=CC=C1)N(C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[C@H](C[C@H](C(C)(C)C)OC(=O)C(=O)C1=CC=CC=C1)N(C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C27H35NO4/c1-26(2,3)21(28(7)24(30)20-16-12-9-13-17-20)18-22(27(4,5)6)32-25(31)23(29)19-14-10-8-11-15-19/h8-17,21-22H,18H2,1-7H3/t21-,22+/m0/s1