2-[[2-cyano-4-(6-methoxypyridin-3-yl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

Systemtic Name: 2-[[2-cyano-4-(6-methoxypyridin-3-yl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid Openeye Name: 2-[[2-cyano-4-(6-methoxy-3-pyridyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid CAS Name: 2-[[2-cyano-4-(6-methoxy-3-pyridinyl)anilino]-oxomethyl]-1-cyclopentenecarboxylic acid IUPAC Name: 2-[[2-cyano-4-(6-methoxypyridin-3-yl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid Traditional Name: 2-[[2-cyano-4-(6-methoxy-3-pyridyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)C#N

Isomeric SMILES

COC1=NC=C(C=C1)C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)C#N

InChI

InChI=1S/C20H17N3O4/c1-27-18-8-6-13(11-22-18)12-5-7-17(14(9-12)10-21)23-19(24)15-3-2-4-16(15)20(25)26/h5-9,11H,2-4H2,1H3,(H,23,24)(H,25,26)