2-[6-methyl-2-oxidanylidene-4-(phenylmethyl)-3-(pyridin-2-ylmethylamino)pyridin-1-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-2-oxidanylidene-4-(phenylmethyl)-3-(pyridin-2-ylmethylamino)pyridin-1-yl]ethanoic acid Openeye Name: 2-[4-benzyl-6-methyl-2-oxo-3-(2-pyridylmethylamino)-1-pyridyl]acetic acid CAS Name: 2-[6-methyl-2-oxo-4-(phenylmethyl)-3-(2-pyridinylmethylamino)-1-pyridinyl]acetic acid IUPAC Name: 2-[4-benzyl-6-methyl-2-oxo-3-(pyridin-2-ylmethylamino)pyridin-1-yl]acetic acid Traditional Name: 2-[4-benzyl-2-keto-6-methyl-3-(2-pyridylmethylamino)-1-pyridyl]acetic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1CC(=O)O)NCC2=CC=CC=N2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C(=O)N1CC(=O)O)NCC2=CC=CC=N2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-15-11-17(12-16-7-3-2-4-8-16)20(21(27)24(15)14-19(25)26)23-13-18-9-5-6-10-22-18/h2-11,23H,12-14H2,1H3,(H,25,26)