4-[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxidanylidene-pyridin-1-yl]ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxidanylidene-pyridin-1-yl]ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridyl]acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxopyridin-1-yl]acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-[3-cyano-2-keto-4-(methoxymethyl)-6-methyl-1-pyridyl]acetyl]amino]-3-methyl-benzoic acid Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1CC(=O)NC2=C(C=C(C=C2)C(=O)O)C)C#N)COC

Isomeric SMILES

CC1=CC(=C(C(=O)N1CC(=O)NC2=C(C=C(C=C2)C(=O)O)C)C#N)COC

InChI

InChI=1S/C19H19N3O5/c1-11-6-13(19(25)26)4-5-16(11)21-17(23)9-22-12(2)7-14(10-27-3)15(8-20)18(22)24/h4-7H,9-10H2,1-3H3,(H,21,23)(H,25,26)