[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]propionic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=C(C=C1)C#N)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)C#N)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H25N3O4/c1-15(25-21(28)17-7-9-18(10-8-17)23(2,3)4)22(29)30-14-20(27)26-19-11-5-16(13-24)6-12-19/h5-12,15H,14H2,1-4H3,(H,25,28)(H,26,27)/t15-/m0/s1