3-methoxy-4-[2-[1-(3-methylbutanoyl)pyrrolidin-2-yl]ethynyl]benzoic acid

Systemtic Name: 3-methoxy-4-[2-[1-(3-methylbutanoyl)pyrrolidin-2-yl]ethynyl]benzoic acid Openeye Name: 3-methoxy-4-[2-[1-(3-methylbutanoyl)pyrrolidin-2-yl]ethynyl]benzoic acid CAS Name: 3-methoxy-4-[2-[1-(3-methyl-1-oxobutyl)-2-pyrrolidinyl]ethynyl]benzoic acid IUPAC Name: 3-methoxy-4-[2-[1-(3-methylbutanoyl)pyrrolidin-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-(1-isovalerylpyrrolidin-2-yl)ethynyl]-3-methoxy-benzoic acid Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCC1C#CC2=C(C=C(C=C2)C(=O)O)OC

Isomeric SMILES

CC(C)CC(=O)N1CCCC1C#CC2=C(C=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C19H23NO4/c1-13(2)11-18(21)20-10-4-5-16(20)9-8-14-6-7-15(19(22)23)12-17(14)24-3/h6-7,12-13,16H,4-5,10-11H2,1-3H3,(H,22,23)