3-methyl-5-pyrrolidin-1-yl-phthalic acid

Systemtic Name: 3-methyl-5-pyrrolidin-1-yl-phthalic acid Openeye Name: 3-methyl-5-pyrrolidin-1-yl-phthalic acid CAS Name: 3-methyl-5-(1-pyrrolidinyl)phthalic acid IUPAC Name: 3-methyl-5-pyrrolidin-1-ylphthalic acid Traditional Name: 3-methyl-5-pyrrolidino-phthalic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)N2CCCC2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)N2CCCC2)C(=O)O)C(=O)O

InChI

InChI=1S/C13H15NO4/c1-8-6-9(14-4-2-3-5-14)7-10(12(15)16)11(8)13(17)18/h6-7H,2-5H2,1H3,(H,15,16)(H,17,18)