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

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] (E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] (E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hexoxy-3-methoxyphenyl)-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-hexoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hexoxy-3-methoxy-phenyl)acrylic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C27H30N2O6 MolecularWeight: 478.5369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=CC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)N)OC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)N)OC)OC

InChI

InChI=1S/C27H30N2O6/c1-4-5-6-7-14-34-22-11-8-19(16-24(22)32-2)10-13-26(30)35-23-12-9-20(17-25(23)33-3)15-21(18-28)27(29)31/h8-13,15-17H,4-7,14H2,1-3H3,(H2,29,31)/b13-10+,21-15+