[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-enoate Openeye Name: [2-(4-chloroanilino)-2-oxo-ethyl] (E)-3-(4-allyloxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-2-propenoic acid [2-(4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloroanilino)-2-oxoethyl] (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)acrylic acid [2-(4-chloroanilino)-2-keto-ethyl] ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO5/c1-3-12-27-18-10-4-15(13-19(18)26-2)5-11-21(25)28-14-20(24)23-17-8-6-16(22)7-9-17/h3-11,13H,1,12,14H2,2H3,(H,23,24)/b11-5+