[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-(4-methylphenyl)propanoate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-(4-methylphenyl)propanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-(p-tolyl)propanoate CAS Name: 3-(4-methylphenyl)propanoic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-(4-methylphenyl)propanoate Traditional Name: 3-(p-tolyl)propionic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)OC

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3)OC

InChI

InChI=1S/C26H24N2O5/c1-18-5-7-19(8-6-18)10-12-25(29)33-23-11-9-20(15-24(23)31-2)14-21(16-27)26(30)28-17-22-4-3-13-32-22/h3-9,11,13-15H,10,12,17H2,1-2H3,(H,28,30)/b21-14+