[3-chloranyl-5-[(E)-3-phenylprop-2-enoyl]oxy-phenyl] 4-(2-methylpropanoylamino)benzoate

Systemtic Name: [3-chloranyl-5-[(E)-3-phenylprop-2-enoyl]oxy-phenyl] 4-(2-methylpropanoylamino)benzoate Openeye Name: [3-chloro-5-[(E)-3-phenylprop-2-enoyl]oxy-phenyl] 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid [3-chloro-5-[(E)-1-oxo-3-phenylprop-2-enoxy]phenyl] ester IUPAC Name: [3-chloro-5-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid [3-chloro-5-[(E)-3-phenylacryloyl]oxy-phenyl] ester Formula: C26H22ClNO5 MolecularWeight: 463.90958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)Cl)OC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)Cl)OC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H22ClNO5/c1-17(2)25(30)28-21-11-9-19(10-12-21)26(31)33-23-15-20(27)14-22(16-23)32-24(29)13-8-18-6-4-3-5-7-18/h3-17H,1-2H3,(H,28,30)/b13-8+