(4-tert-butyl-2,6-dimethyl-phenyl)methyl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)OC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)OC)C)C(C)(C)C

InChI

InChI=1S/C26H35NO4/c1-16(2)23(27-24(28)19-9-11-21(30-8)12-10-19)25(29)31-15-22-17(3)13-20(14-18(22)4)26(5,6)7/h9-14,16,23H,15H2,1-8H3,(H,27,28)/t23-/m0/s1