methyl 4-chloranyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 3-[[(E)-3-(4-allyloxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-chloro-benzoate CAS Name: 4-chloro-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-3-(4-allyloxy-3-methoxy-phenyl)acryloyl]amino]-4-chloro-benzoic acid methyl ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)OCC=C

InChI

InChI=1S/C21H20ClNO5/c1-4-11-28-18-9-5-14(12-19(18)26-2)6-10-20(24)23-17-13-15(21(25)27-3)7-8-16(17)22/h4-10,12-13H,1,11H2,2-3H3,(H,23,24)/b10-6+