(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate CAS Name: 2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Traditional Name: 2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1NC(=O)CCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1NC(=O)CCC2=CC=C(C=C2)OC

InChI

InChI=1S/C23H23N3O5/c1-15(25)19(13-24)21(27)14-31-23(29)18-5-3-4-6-20(18)26-22(28)12-9-16-7-10-17(30-2)11-8-16/h3-8,10-11,19,25H,9,12,14H2,1-2H3,(H,26,28)