(E)-3-(4-butoxyphenyl)-N-(3-chloranyl-4-methoxy-phenyl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-(4-butoxyphenyl)-N-(3-chloranyl-4-methoxy-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-(4-butoxyphenyl)-N-(3-chloro-4-methoxy-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(4-butoxyphenyl)-N-(3-chloro-4-methoxyphenyl)-2-cyano-2-propenamide IUPAC Name: (E)-3-(4-butoxyphenyl)-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(4-butoxyphenyl)-N-(3-chloro-4-methoxy-phenyl)-2-cyano-acrylamide Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3/c1-3-4-11-27-18-8-5-15(6-9-18)12-16(14-23)21(25)24-17-7-10-20(26-2)19(22)13-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25)/b16-12+