2-[3-(3-carbamimidoylphenyl)-5-[(4-phenylphenyl)carbamoyl]-4H-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(3-carbamimidoylphenyl)-5-[(4-phenylphenyl)carbamoyl]-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[3-(3-carbamimidoylphenyl)-5-[(4-phenylphenyl)carbamoyl]-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[3-(3-carbamimidoylphenyl)-5-[oxo-(4-phenylanilino)methyl]-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[3-(3-carbamimidoylphenyl)-5-[(4-phenylphenyl)carbamoyl]-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[3-(3-amidinophenyl)-5-[(4-phenylphenyl)carbamoyl]-2-isoxazolin-5-yl]acetic acid Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NOC1(CC(=O)O)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

C1C(=NOC1(CC(=O)O)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C25H22N4O4/c26-23(27)19-8-4-7-18(13-19)21-14-25(33-29-21,15-22(30)31)24(32)28-20-11-9-17(10-12-20)16-5-2-1-3-6-16/h1-13H,14-15H2,(H3,26,27)(H,28,32)(H,30,31)