3-[1-(2-carboxyethyl)-2,4-dimethyl-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[1-(2-carboxyethyl)-2,4-dimethyl-pyrrol-3-yl]propanoic acid Openeye Name: 3-[1-(2-carboxyethyl)-2,4-dimethyl-pyrrol-3-yl]propanoic acid CAS Name: 3-[1-(2-carboxyethyl)-2,4-dimethyl-3-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(2-carboxyethyl)-2,4-dimethylpyrrol-3-yl]propanoic acid Traditional Name: 3-[1-(2-carboxyethyl)-2,4-dimethyl-pyrrol-3-yl]propionic acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C1CCC(=O)O)C)CCC(=O)O

Isomeric SMILES

CC1=CN(C(=C1CCC(=O)O)C)CCC(=O)O

InChI

InChI=1S/C12H17NO4/c1-8-7-13(6-5-12(16)17)9(2)10(8)3-4-11(14)15/h7H,3-6H2,1-2H3,(H,14,15)(H,16,17)