methyl 4-[[(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]oxymethyl]benzoate CAS Name: 4-[[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-oxoprop-2-enoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]oxymethyl]benzoate Traditional Name: 4-[[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)acryloyl]oxymethyl]benzoic acid methyl ester Formula: C21H21ClO6 MolecularWeight: 404.84084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)OCC2=CC=C(C=C2)C(=O)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)OCC2=CC=C(C=C2)C(=O)OC)OC

InChI

InChI=1S/C21H21ClO6/c1-4-27-20-17(22)11-15(12-18(20)25-2)7-10-19(23)28-13-14-5-8-16(9-6-14)21(24)26-3/h5-12H,4,13H2,1-3H3/b10-7+