2-[[5-phenyl-4-(phenylazanylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]amino]benzoic acid

Systemtic Name: 2-[[5-phenyl-4-(phenylazanylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]amino]benzoic acid Openeye Name: 2-[[4-(anilinomethyl)-5-phenyl-4,5-dihydroisoxazol-3-yl]amino]benzoic acid CAS Name: 2-[[4-(anilinomethyl)-5-phenyl-4,5-dihydroisoxazol-3-yl]amino]benzoic acid IUPAC Name: 2-[[4-(anilinomethyl)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]amino]benzoic acid Traditional Name: 2-[[4-(anilinomethyl)-5-phenyl-2-isoxazolin-3-yl]amino]benzoic acid Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=NO2)NC3=CC=CC=C3C(=O)O)CNC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2C(C(=NO2)NC3=CC=CC=C3C(=O)O)CNC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3/c27-23(28)18-13-7-8-14-20(18)25-22-19(15-24-17-11-5-2-6-12-17)21(29-26-22)16-9-3-1-4-10-16/h1-14,19,21,24H,15H2,(H,25,26)(H,27,28)