methyl 5-chloranyl-4-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-2-methoxy-benzoate

Systemtic Name: methyl 5-chloranyl-4-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-2-methoxy-benzoate Openeye Name: methyl 5-chloro-4-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-2-methoxy-benzoate CAS Name: 5-chloro-4-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-chloro-4-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-2-methoxybenzoate Traditional Name: 5-chloro-4-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]-2-methoxy-benzoic acid methyl ester Formula: C26H29ClN2O6 MolecularWeight: 500.97126

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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=C(C(=C2)OC)C(=O)OC)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN2O6/c1-5-6-7-8-11-35-22-10-9-17(13-24(22)33-3)12-18(16-28)25(30)29-21-15-23(32-2)19(14-20(21)27)26(31)34-4/h9-10,12-15H,5-8,11H2,1-4H3,(H,29,30)/b18-12+