2-methyl-4-(3-methylbutanoylamino)-2-[3-(pyridin-3-ylmethyl)phenyl]butanoic acid

Systemtic Name: 2-methyl-4-(3-methylbutanoylamino)-2-[3-(pyridin-3-ylmethyl)phenyl]butanoic acid Openeye Name: 2-methyl-4-(3-methylbutanoylamino)-2-[3-(3-pyridylmethyl)phenyl]butanoic acid CAS Name: 2-methyl-4-[(3-methyl-1-oxobutyl)amino]-2-[3-(3-pyridinylmethyl)phenyl]butanoic acid IUPAC Name: 2-methyl-4-(3-methylbutanoylamino)-2-[3-(pyridin-3-ylmethyl)phenyl]butanoic acid Traditional Name: 4-(isovalerylamino)-2-methyl-2-[3-(3-pyridylmethyl)phenyl]butyric acid Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCCC(C)(C1=CC=CC(=C1)CC2=CN=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NCCC(C)(C1=CC=CC(=C1)CC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C22H28N2O3/c1-16(2)12-20(25)24-11-9-22(3,21(26)27)19-8-4-6-17(14-19)13-18-7-5-10-23-15-18/h4-8,10,14-16H,9,11-13H2,1-3H3,(H,24,25)(H,26,27)