3-[[(4-cyanophenyl)amino]methyl]-2,4-dimethoxy-3-methyl-4-oxidanylidene-2-(phenylcarbamoyl)butanoic acid

Systemtic Name: 3-[[(4-cyanophenyl)amino]methyl]-2,4-dimethoxy-3-methyl-4-oxidanylidene-2-(phenylcarbamoyl)butanoic acid Openeye Name: 3-[(4-cyanoanilino)methyl]-2,4-dimethoxy-3-methyl-4-oxo-2-(phenylcarbamoyl)butanoic acid CAS Name: 2-[anilino(oxo)methyl]-3-[(4-cyanoanilino)methyl]-2,4-dimethoxy-3-methyl-4-oxobutanoic acid IUPAC Name: 3-[(4-cyanoanilino)methyl]-2,4-dimethoxy-3-methyl-4-oxo-2-(phenylcarbamoyl)butanoic acid Traditional Name: 3-[(4-cyanoanilino)methyl]-4-keto-2,4-dimethoxy-3-methyl-2-(phenylcarbamoyl)butyric acid Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC=C(C=C1)C#N)(C(=O)OC)C(C(=O)NC2=CC=CC=C2)(C(=O)O)OC

Isomeric SMILES

CC(CNC1=CC=C(C=C1)C#N)(C(=O)OC)C(C(=O)NC2=CC=CC=C2)(C(=O)O)OC

InChI

InChI=1S/C22H23N3O6/c1-21(20(29)30-2,14-24-16-11-9-15(13-23)10-12-16)22(31-3,19(27)28)18(26)25-17-7-5-4-6-8-17/h4-12,24H,14H2,1-3H3,(H,25,26)(H,27,28)