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

Systemtic Name: ethyl 5-chloranyl-4-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-2-methoxy-benzoate Openeye Name: ethyl 5-chloro-4-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-2-methoxy-benzoate CAS Name: 5-chloro-4-[[(E)-2-cyano-1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]-2-methoxybenzoic acid ethyl ester IUPAC Name: ethyl 5-chloro-4-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-2-methoxybenzoate Traditional Name: 5-chloro-4-[[(E)-2-cyano-3-(4-propoxyphenyl)acryloyl]amino]-2-methoxy-benzoic acid ethyl ester Formula: C23H23ClN2O5 MolecularWeight: 442.89212

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(C(=C2)OC)C(=O)OCC)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C(=C2)OC)C(=O)OCC)Cl

InChI

InChI=1S/C23H23ClN2O5/c1-4-10-31-17-8-6-15(7-9-17)11-16(14-25)22(27)26-20-13-21(29-3)18(12-19(20)24)23(28)30-5-2/h6-9,11-13H,4-5,10H2,1-3H3,(H,26,27)/b16-11+