3-(3-chloranyl-5-methoxy-4-octoxy-phenyl)-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 3-(3-chloranyl-5-methoxy-4-octoxy-phenyl)-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-3-(3-chloro-5-methoxy-4-octoxy-phenyl)-2-cyano-prop-2-enamide CAS Name: 3-(3-chloro-5-methoxy-4-octoxyphenyl)-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-3-(3-chloro-5-methoxy-4-octoxyphenyl)-2-cyanoprop-2-enamide Traditional Name: N-benzyl-3-(3-chloro-5-methoxy-4-octoxy-phenyl)-2-cyano-acrylamide Formula: C26H31ClN2O3 MolecularWeight: 454.98894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1Cl)C=C(C#N)C(=O)NCC2=CC=CC=C2)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1Cl)C=C(C#N)C(=O)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C26H31ClN2O3/c1-3-4-5-6-7-11-14-32-25-23(27)16-21(17-24(25)31-2)15-22(18-28)26(30)29-19-20-12-9-8-10-13-20/h8-10,12-13,15-17H,3-7,11,14,19H2,1-2H3,(H,29,30)