[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-[4-(4-methylphenyl)phenoxy]ethanoate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-[4-(4-methylphenyl)phenoxy]ethanoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-[4-(p-tolyl)phenoxy]acetate CAS Name: 2-[4-(4-methylphenyl)phenoxy]acetic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-[4-(4-methylphenyl)phenoxy]acetate Traditional Name: 2-[4-(p-tolyl)phenoxy]acetic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)OC3=C(C=C(C=C3)C=C(C#N)C(=O)N)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)OC3=C(C=C(C=C3)/C=C(\C#N)/C(=O)N)OC

InChI

InChI=1S/C26H22N2O5/c1-17-3-6-19(7-4-17)20-8-10-22(11-9-20)32-16-25(29)33-23-12-5-18(14-24(23)31-2)13-21(15-27)26(28)30/h3-14H,16H2,1-2H3,(H2,28,30)/b21-13+