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

Systemtic Name: 3-phenyl-5-[[(phenylmethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid Openeye Name: 5-[(benzylamino)methyl]-3-phenyl-isoxazole-4-carboxylic acid CAS Name: 3-phenyl-5-[[(phenylmethyl)amino]methyl]-4-isoxazolecarboxylic acid IUPAC Name: 5-[(benzylamino)methyl]-3-phenyl-1,2-oxazole-4-carboxylic acid Traditional Name: 5-[(benzylamino)methyl]-3-phenyl-isoxazole-4-carboxylic acid Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3/c21-18(22)16-15(12-19-11-13-7-3-1-4-8-13)23-20-17(16)14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,21,22)