4-(3,5-dimethyl-4-propan-2-yl-1H-pyrrol-2-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3,5-dimethyl-4-propan-2-yl-1H-pyrrol-2-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-isopropyl-3,5-dimethyl-1H-pyrrol-2-yl)-4-oxo-butanoic acid CAS Name: 4-(3,5-dimethyl-4-propan-2-yl-1H-pyrrol-2-yl)-4-oxobutanoic acid IUPAC Name: 4-(3,5-dimethyl-4-propan-2-yl-1H-pyrrol-2-yl)-4-oxobutanoic acid Traditional Name: 4-(4-isopropyl-3,5-dimethyl-1H-pyrrol-2-yl)-4-keto-butyric acid Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(C)C)C)C(=O)CCC(=O)O

Isomeric SMILES

CC1=C(NC(=C1C(C)C)C)C(=O)CCC(=O)O

InChI

InChI=1S/C13H19NO3/c1-7(2)12-8(3)13(14-9(12)4)10(15)5-6-11(16)17/h7,14H,5-6H2,1-4H3,(H,16,17)