(E)-4-[(2-cyano-5-methoxy-3-methyl-phenyl)methoxy]-4-oxidanyl-2-oxidanylidene-3-phenyl-but-3-enoic acid

Systemtic Name: (E)-4-[(2-cyano-5-methoxy-3-methyl-phenyl)methoxy]-4-oxidanyl-2-oxidanylidene-3-phenyl-but-3-enoic acid Openeye Name: (E)-4-[(2-cyano-5-methoxy-3-methyl-phenyl)methoxy]-4-hydroxy-2-oxo-3-phenyl-but-3-enoic acid CAS Name: (E)-4-[(2-cyano-5-methoxy-3-methylphenyl)methoxy]-4-hydroxy-2-oxo-3-phenyl-3-butenoic acid IUPAC Name: (E)-4-[(2-cyano-5-methoxy-3-methylphenyl)methoxy]-4-hydroxy-2-oxo-3-phenylbut-3-enoic acid Traditional Name: (E)-4-(2-cyano-5-methoxy-3-methyl-benzyl)oxy-4-hydroxy-2-keto-3-phenyl-but-3-enoic acid Formula: C20H17NO6 MolecularWeight: 367.35208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C#N)COC(=C(C2=CC=CC=C2)C(=O)C(=O)O)O)OC

Isomeric SMILES

CC1=CC(=CC(=C1C#N)CO/C(=C(\C2=CC=CC=C2)/C(=O)C(=O)O)/O)OC

InChI

InChI=1S/C20H17NO6/c1-12-8-15(26-2)9-14(16(12)10-21)11-27-20(25)17(18(22)19(23)24)13-6-4-3-5-7-13/h3-9,25H,11H2,1-2H3,(H,23,24)/b20-17+