2-[4-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-2-cyano-3-oxo-3-(tetrahydrofuran-2-ylmethylamino)prop-1-enyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[(E)-2-cyano-3-oxo-3-(2-oxolanylmethylamino)prop-1-enyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-2-cyano-3-keto-3-(tetrahydrofurfurylamino)prop-1-enyl]-2-methoxy-phenoxy]acetic acid Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2CCCO2)OCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2CCCO2)OCC(=O)O

InChI

InChI=1S/C18H20N2O6/c1-24-16-8-12(4-5-15(16)26-11-17(21)22)7-13(9-19)18(23)20-10-14-3-2-6-25-14/h4-5,7-8,14H,2-3,6,10-11H2,1H3,(H,20,23)(H,21,22)/b13-7+