[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-propenoic 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] (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)acrylic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)N)OC)OCC

InChI

InChI=1S/C26H28N2O6/c1-4-6-13-33-21-10-7-18(15-24(21)32-5-2)9-12-25(29)34-22-11-8-19(16-23(22)31-3)14-20(17-27)26(28)30/h7-12,14-16H,4-6,13H2,1-3H3,(H2,28,30)/b12-9+,20-14+