(4-tert-butyl-2-methyl-phenyl) (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butyric acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC2=C(C=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OC2=C(C=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C25H33NO4/c1-8-29-20-12-9-18(10-13-20)23(27)26-22(16(2)3)24(28)30-21-14-11-19(15-17(21)4)25(5,6)7/h9-16,22H,8H2,1-7H3,(H,26,27)/t22-/m0/s1