[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C26H33NO5 MolecularWeight: 439.54392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C26H33NO5/c1-7-31-22-11-9-8-10-20(22)24(29)27-23(17(2)3)25(30)32-16-21(28)18-12-14-19(15-13-18)26(4,5)6/h8-15,17,23H,7,16H2,1-6H3,(H,27,29)/t23-/m0/s1