3-(2-butylpyrrolidin-1-yl)carbonyl-5-methyl-benzoic acid

Systemtic Name: 3-(2-butylpyrrolidin-1-yl)carbonyl-5-methyl-benzoic acid Openeye Name: 3-(2-butylpyrrolidine-1-carbonyl)-5-methyl-benzoic acid CAS Name: 3-[(2-butyl-1-pyrrolidinyl)-oxomethyl]-5-methylbenzoic acid IUPAC Name: 3-(2-butylpyrrolidine-1-carbonyl)-5-methylbenzoic acid Traditional Name: 3-(2-butylpyrrolidine-1-carbonyl)-5-methyl-benzoic acid Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCN1C(=O)C2=CC(=CC(=C2)C)C(=O)O

Isomeric SMILES

CCCCC1CCCN1C(=O)C2=CC(=CC(=C2)C)C(=O)O

InChI

InChI=1S/C17H23NO3/c1-3-4-6-15-7-5-8-18(15)16(19)13-9-12(2)10-14(11-13)17(20)21/h9-11,15H,3-8H2,1-2H3,(H,20,21)