(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-[(4-tert-butylphenoxy)methyl]benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-[(4-tert-butylphenoxy)methyl]benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-[(4-tert-butylphenoxy)methyl]benzoate CAS Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-[(4-tert-butylphenoxy)methyl]benzoate Traditional Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H26N2O4/c1-16(26)21(13-25)22(27)15-30-23(28)18-7-5-17(6-8-18)14-29-20-11-9-19(10-12-20)24(2,3)4/h5-12,21,26H,14-15H2,1-4H3