dimethyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C27H30N2O7 MolecularWeight: 494.5363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)OC

InChI

InChI=1S/C27H30N2O7/c1-5-6-7-8-13-36-23-12-9-18(15-24(23)33-2)14-20(17-28)25(30)29-22-16-19(26(31)34-3)10-11-21(22)27(32)35-4/h9-12,14-16H,5-8,13H2,1-4H3,(H,29,30)/b20-14+