3-(4-chlorophenyl)-5-[[(phenylmethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid

Systemtic Name: 3-(4-chlorophenyl)-5-[[(phenylmethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid Openeye Name: 5-[(benzylamino)methyl]-3-(4-chlorophenyl)isoxazole-4-carboxylic acid CAS Name: 3-(4-chlorophenyl)-5-[[(phenylmethyl)amino]methyl]-4-isoxazolecarboxylic acid IUPAC Name: 5-[(benzylamino)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 5-[(benzylamino)methyl]-3-(4-chlorophenyl)isoxazole-4-carboxylic acid Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2=C(C(=NO2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC2=C(C(=NO2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H15ClN2O3/c19-14-8-6-13(7-9-14)17-16(18(22)23)15(24-21-17)11-20-10-12-4-2-1-3-5-12/h1-9,20H,10-11H2,(H,22,23)