(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCNC(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCNC(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C20H25N3O4/c1-13(22)16(11-21)17(24)12-27-18(25)9-10-23-19(26)14-5-7-15(8-6-14)20(2,3)4/h5-8,16,22H,9-10,12H2,1-4H3,(H,23,26)