3-[3-[1-(3-methylbutanoyl)pyrrolidin-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[3-[1-(3-methylbutanoyl)pyrrolidin-2-yl]phenyl]propanoic acid Openeye Name: 3-[3-[1-(3-methylbutanoyl)pyrrolidin-2-yl]phenyl]propanoic acid CAS Name: 3-[3-[1-(3-methyl-1-oxobutyl)-2-pyrrolidinyl]phenyl]propanoic acid IUPAC Name: 3-[3-[1-(3-methylbutanoyl)pyrrolidin-2-yl]phenyl]propanoic acid Traditional Name: 3-[3-(1-isovalerylpyrrolidin-2-yl)phenyl]propionic acid Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCC1C2=CC(=CC=C2)CCC(=O)O

Isomeric SMILES

CC(C)CC(=O)N1CCCC1C2=CC(=CC=C2)CCC(=O)O

InChI

InChI=1S/C18H25NO3/c1-13(2)11-17(20)19-10-4-7-16(19)15-6-3-5-14(12-15)8-9-18(21)22/h3,5-6,12-13,16H,4,7-11H2,1-2H3,(H,21,22)