2-[5-(aminomethyl)-2-ethyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[5-(aminomethyl)-2-ethyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]ethanoic acid Openeye Name: 2-[5-(aminomethyl)-2-ethyl-6-isobutyl-4-(p-tolyl)-3-pyridyl]acetic acid CAS Name: 2-[5-(aminomethyl)-2-ethyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetic acid IUPAC Name: 2-[5-(aminomethyl)-2-ethyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]acetic acid Traditional Name: 2-[5-(aminomethyl)-2-ethyl-6-isobutyl-4-(p-tolyl)-3-pyridyl]acetic acid Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=C1CC(=O)O)C2=CC=C(C=C2)C)CN)CC(C)C

Isomeric SMILES

CCC1=NC(=C(C(=C1CC(=O)O)C2=CC=C(C=C2)C)CN)CC(C)C

InChI

InChI=1S/C21H28N2O2/c1-5-18-16(11-20(24)25)21(15-8-6-14(4)7-9-15)17(12-22)19(23-18)10-13(2)3/h6-9,13H,5,10-12,22H2,1-4H3,(H,24,25)