2-[5-(1-azanyl-2-phenyl-ethyl)-3-(phenylmethyl)-5H-1,2-oxazol-2-yl]benzoic acid

Systemtic Name: 2-[5-(1-azanyl-2-phenyl-ethyl)-3-(phenylmethyl)-5H-1,2-oxazol-2-yl]benzoic acid Openeye Name: 2-[5-(1-amino-2-phenyl-ethyl)-3-benzyl-5H-isoxazol-2-yl]benzoic acid CAS Name: 2-[5-(1-amino-2-phenylethyl)-3-(phenylmethyl)-5H-isoxazol-2-yl]benzoic acid IUPAC Name: 2-[5-(1-amino-2-phenylethyl)-3-benzyl-5H-1,2-oxazol-2-yl]benzoic acid Traditional Name: 2-[5-(1-amino-2-phenyl-ethyl)-3-benzyl-3-isoxazolin-2-yl]benzoic acid Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(ON2C3=CC=CC=C3C(=O)O)C(CC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(ON2C3=CC=CC=C3C(=O)O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C25H24N2O3/c26-22(16-19-11-5-2-6-12-19)24-17-20(15-18-9-3-1-4-10-18)27(30-24)23-14-8-7-13-21(23)25(28)29/h1-14,17,22,24H,15-16,26H2,(H,28,29)