(5-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl 2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: (5-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl 2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: (5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl 2-(4-isobutylphenyl)propanoate CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid (5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl ester IUPAC Name: (5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl 2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: 2-(4-isobutylphenyl)propionic acid (5-chloro-2-keto-1,3-benzoxazol-3-yl)methyl ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCN2C3=C(C=CC(=C3)Cl)OC2=O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCN2C3=C(C=CC(=C3)Cl)OC2=O

InChI

InChI=1S/C21H22ClNO4/c1-13(2)10-15-4-6-16(7-5-15)14(3)20(24)26-12-23-18-11-17(22)8-9-19(18)27-21(23)25/h4-9,11,13-14H,10,12H2,1-3H3