3-[2-(2-methylpropyl)pyrrolidin-1-yl]carbonylbenzoic acid

Systemtic Name: 3-[2-(2-methylpropyl)pyrrolidin-1-yl]carbonylbenzoic acid Openeye Name: 3-(2-isobutylpyrrolidine-1-carbonyl)benzoic acid CAS Name: 3-[[2-(2-methylpropyl)-1-pyrrolidinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]benzoic acid Traditional Name: 3-(2-isobutylpyrrolidine-1-carbonyl)benzoic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CCCN1C(=O)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CC1CCCN1C(=O)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C16H21NO3/c1-11(2)9-14-7-4-8-17(14)15(18)12-5-3-6-13(10-12)16(19)20/h3,5-6,10-11,14H,4,7-9H2,1-2H3,(H,19,20)