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

Systemtic Name: 4-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)-[1-(4-pyridin-4-ylphenyl)pyrrol-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-(hydroxymethyl)-2,2-dimethyl-propyl]-[1-[4-(4-pyridyl)phenyl]pyrrol-3-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[(1-hydroxy-3,3-dimethylbutan-2-yl)-[1-(4-pyridin-4-ylphenyl)-3-pyrrolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(1-hydroxy-3,3-dimethylbutan-2-yl)-[1-(4-pyridin-4-ylphenyl)pyrrol-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[(2,2-dimethyl-1-methylol-propyl)-[1-[4-(4-pyridyl)phenyl]pyrrol-3-yl]amino]-4-keto-butyric acid Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CO)N(C1=CN(C=C1)C2=CC=C(C=C2)C3=CC=NC=C3)C(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C)C(CO)N(C1=CN(C=C1)C2=CC=C(C=C2)C3=CC=NC=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C25H29N3O4/c1-25(2,3)22(17-29)28(23(30)8-9-24(31)32)21-12-15-27(16-21)20-6-4-18(5-7-20)19-10-13-26-14-11-19/h4-7,10-16,22,29H,8-9,17H2,1-3H3,(H,31,32)