3-[(4-cyanophenyl)amino]-2-methoxy-3-methyl-2-(phenylcarbamoyl)pentanedioic acid

Systemtic Name: 3-[(4-cyanophenyl)amino]-2-methoxy-3-methyl-2-(phenylcarbamoyl)pentanedioic acid Openeye Name: 3-(4-cyanoanilino)-2-methoxy-3-methyl-2-(phenylcarbamoyl)pentanedioic acid CAS Name: 2-[anilino(oxo)methyl]-3-(4-cyanoanilino)-2-methoxy-3-methylpentanedioic acid IUPAC Name: 3-(4-cyanoanilino)-2-methoxy-3-methyl-2-(phenylcarbamoyl)pentanedioic acid Traditional Name: 3-(4-cyanoanilino)-2-methoxy-3-methyl-2-(phenylcarbamoyl)glutaric acid Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)(C(C(=O)NC1=CC=CC=C1)(C(=O)O)OC)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(CC(=O)O)(C(C(=O)NC1=CC=CC=C1)(C(=O)O)OC)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H21N3O6/c1-20(12-17(25)26,24-16-10-8-14(13-22)9-11-16)21(30-2,19(28)29)18(27)23-15-6-4-3-5-7-15/h3-11,24H,12H2,1-2H3,(H,23,27)(H,25,26)(H,28,29)