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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-(4-ethoxy-3-methoxy-phenyl)propanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-(4-ethoxy-3-methoxy-phenyl)propanoate CAS Name: 3-(4-ethoxy-3-methoxyphenyl)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-ethoxy-3-methoxyphenyl)propanoate Traditional Name: 3-(4-ethoxy-3-methoxy-phenyl)propionic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C28H28N2O7 MolecularWeight: 504.53112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3)OC)OC

InChI

InChI=1S/C28H28N2O7/c1-4-35-23-10-7-19(15-25(23)33-2)9-12-27(31)37-24-11-8-20(16-26(24)34-3)14-21(17-29)28(32)30-18-22-6-5-13-36-22/h5-8,10-11,13-16H,4,9,12,18H2,1-3H3,(H,30,32)/b21-14+