4-[[3-(4-cyanophenyl)pyrrol-1-yl]-(3,3-dimethyl-1-oxidanyl-butan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(4-cyanophenyl)pyrrol-1-yl]-(3,3-dimethyl-1-oxidanyl-butan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-(4-cyanophenyl)pyrrol-1-yl]-[1-(hydroxymethyl)-2,2-dimethyl-propyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-(4-cyanophenyl)-1-pyrrolyl]-(1-hydroxy-3,3-dimethylbutan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-(4-cyanophenyl)pyrrol-1-yl]-(1-hydroxy-3,3-dimethylbutan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[[3-(4-cyanophenyl)pyrrol-1-yl]-(2,2-dimethyl-1-methylol-propyl)amino]-4-keto-butyric acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CO)N(C(=O)CCC(=O)O)N1C=CC(=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)C(CO)N(C(=O)CCC(=O)O)N1C=CC(=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H25N3O4/c1-21(2,3)18(14-25)24(19(26)8-9-20(27)28)23-11-10-17(13-23)16-6-4-15(12-22)5-7-16/h4-7,10-11,13,18,25H,8-9,14H2,1-3H3,(H,27,28)