(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(2-oxo-1,3-benzoxazol-3-yl)butanoic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-1,3-benzoxazol-3-yl)butyric acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)CCCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)CCCN2C3=CC=CC=C3OC2=O

InChI

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