(3-cyanophenyl)methyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (3-cyanophenyl)methyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (3-cyanophenyl)methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid (3-cyanobenzyl) ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC(=C1)C#N)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC(=C1)C#N)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H28N2O3/c1-16(2)21(23(28)29-15-18-8-6-7-17(13-18)14-25)26-22(27)19-9-11-20(12-10-19)24(3,4)5/h6-13,16,21H,15H2,1-5H3,(H,26,27)/t21-/m0/s1