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

Systemtic Name: ethyl 5-chloranyl-4-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-2-methoxy-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H31ClN2O6 MolecularWeight: 514.99784

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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)OCC)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)OCC)Cl)OC

InChI

InChI=1S/C27H31ClN2O6/c1-5-7-8-9-12-36-23-11-10-18(14-25(23)34-4)13-19(17-29)26(31)30-22-16-24(33-3)20(15-21(22)28)27(32)35-6-2/h10-11,13-16H,5-9,12H2,1-4H3,(H,30,31)/b19-13+