3-[2-[[1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl]phenyl]prop-2-ynoic acid

Systemtic Name: 3-[2-[[1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl]phenyl]prop-2-ynoic acid Openeye Name: 3-[2-[[1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl]phenyl]prop-2-ynoic acid CAS Name: 3-[2-[[1-(3-methyl-1-oxobutyl)-2-pyrrolidinyl]methyl]phenyl]-2-propynoic acid IUPAC Name: 3-[2-[[1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl]phenyl]prop-2-ynoic acid Traditional Name: 3-[2-[(1-isovalerylpyrrolidin-2-yl)methyl]phenyl]propiolic acid Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCC1CC2=CC=CC=C2C#CC(=O)O

Isomeric SMILES

CC(C)CC(=O)N1CCCC1CC2=CC=CC=C2C#CC(=O)O

InChI

InChI=1S/C19H23NO3/c1-14(2)12-18(21)20-11-5-8-17(20)13-16-7-4-3-6-15(16)9-10-19(22)23/h3-4,6-7,14,17H,5,8,11-13H2,1-2H3,(H,22,23)