(3-cyanophenyl)methyl (E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: (3-cyanophenyl)methyl (E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: (3-cyanophenyl)methyl (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-2-propenoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)acrylic acid (3-cyanobenzyl) ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)OCC2=CC=CC(=C2)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)OCC2=CC=CC(=C2)C#N)OC

InChI

InChI=1S/C21H20ClNO4/c1-3-9-26-21-18(22)11-15(12-19(21)25-2)7-8-20(24)27-14-17-6-4-5-16(10-17)13-23/h4-8,10-12H,3,9,14H2,1-2H3/b8-7+