methyl (E)-3-[4-[3-(3-chlorophenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[3-(3-chlorophenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[4-[3-(3-chlorophenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[3-(3-chlorophenyl)-1-oxopropoxy]-3-methoxyphenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[3-(3-chlorophenyl)propanoyloxy]-3-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[3-(3-chlorophenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-acrylic acid methyl ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)CCC2=CC(=CC=C2)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OC)OC(=O)CCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C21H18ClNO5/c1-26-19-12-15(10-16(13-23)21(25)27-2)6-8-18(19)28-20(24)9-7-14-4-3-5-17(22)11-14/h3-6,8,10-12H,7,9H2,1-2H3/b16-10+