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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-(4-butoxy-3-ethoxy-phenyl)propanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-(4-butoxy-3-ethoxy-phenyl)propanoate CAS Name: 3-(4-butoxy-3-ethoxyphenyl)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-butoxy-3-ethoxyphenyl)propanoate Traditional Name: 3-(4-butoxy-3-ethoxy-phenyl)propionic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C31H34N2O7 MolecularWeight: 546.61086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)OC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3)OC)OCC

InChI

InChI=1S/C31H34N2O7/c1-4-6-15-39-26-12-9-22(18-29(26)37-5-2)11-14-30(34)40-27-13-10-23(19-28(27)36-3)17-24(20-32)31(35)33-21-25-8-7-16-38-25/h7-10,12-13,16-19H,4-6,11,14-15,21H2,1-3H3,(H,33,35)/b24-17+