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

Systemtic Name: methyl 4-[[3-(2-butoxy-5-chloranyl-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[3-(2-butoxy-5-chloro-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[3-(2-butoxy-5-chlorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-butoxy-5-chlorophenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[3-(2-butoxy-5-chloro-phenyl)-2-cyano-acryloyl]amino]benzoic acid methyl ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Cl)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Cl)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H21ClN2O4/c1-3-4-11-29-20-10-7-18(23)13-16(20)12-17(14-24)21(26)25-19-8-5-15(6-9-19)22(27)28-2/h5-10,12-13H,3-4,11H2,1-2H3,(H,25,26)