3-[3-[2-(3-methylbutanoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[3-[2-(3-methylbutanoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[3-[2-(3-methylbutanoylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propanoic acid CAS Name: 3-[3-[2-[(3-methyl-1-oxobutyl)amino]ethyl]-5-(3-pyridinylmethyl)phenyl]propanoic acid IUPAC Name: 3-[3-[2-(3-methylbutanoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[3-[2-(isovalerylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propionic acid Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCCC1=CC(=CC(=C1)CCC(=O)O)CC2=CN=CC=C2

Isomeric SMILES

CC(C)CC(=O)NCCC1=CC(=CC(=C1)CCC(=O)O)CC2=CN=CC=C2

InChI

InChI=1S/C22H28N2O3/c1-16(2)10-21(25)24-9-7-18-11-17(5-6-22(26)27)12-20(13-18)14-19-4-3-8-23-15-19/h3-4,8,11-13,15-16H,5-7,9-10,14H2,1-2H3,(H,24,25)(H,26,27)