(phenylmethyl) 5-butyl-3-(4-chlorophenyl)-3H-1,2-oxazole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-butyl-3-(4-chlorophenyl)-3H-1,2-oxazole-2-carboxylate Openeye Name: benzyl 5-butyl-3-(4-chlorophenyl)-3H-isoxazole-2-carboxylate CAS Name: 5-butyl-3-(4-chlorophenyl)-3H-isoxazole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-butyl-3-(4-chlorophenyl)-3H-1,2-oxazole-2-carboxylate Traditional Name: 5-butyl-3-(4-chlorophenyl)-4-isoxazoline-2-carboxylic acid benzyl ester Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(N(O1)C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC1=CC(N(O1)C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO3/c1-2-3-9-19-14-20(17-10-12-18(22)13-11-17)23(26-19)21(24)25-15-16-7-5-4-6-8-16/h4-8,10-14,20H,2-3,9,15H2,1H3