[3-chloranyl-5-(1-methylcyclopropyl)carbonyloxy-phenyl] 4-(2-methylpropanoylamino)benzoate

Systemtic Name: [3-chloranyl-5-(1-methylcyclopropyl)carbonyloxy-phenyl] 4-(2-methylpropanoylamino)benzoate Openeye Name: [3-chloro-5-(1-methylcyclopropanecarbonyl)oxy-phenyl] 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid [3-chloro-5-[(1-methylcyclopropyl)-oxomethoxy]phenyl] ester IUPAC Name: [3-chloro-5-(1-methylcyclopropanecarbonyl)oxyphenyl] 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid [3-chloro-5-(1-methylcyclopropanecarbonyl)oxy-phenyl] ester Formula: C22H22ClNO5 MolecularWeight: 415.86678

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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)C3(CC3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO5/c1-13(2)19(25)24-16-6-4-14(5-7-16)20(26)28-17-10-15(23)11-18(12-17)29-21(27)22(3)8-9-22/h4-7,10-13H,8-9H2,1-3H3,(H,24,25)