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

Systemtic Name: methyl 2-[5-[(3-carbamimidoylphenyl)carbamoyl]-3-(4-phenylphenyl)-4H-1,2-oxazol-5-yl]ethanoate Openeye Name: methyl 2-[5-[(3-carbamimidoylphenyl)carbamoyl]-3-(4-phenylphenyl)-4H-isoxazol-5-yl]acetate CAS Name: 2-[5-[(3-carbamimidoylanilino)-oxomethyl]-3-(4-phenylphenyl)-4H-isoxazol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[(3-carbamimidoylphenyl)carbamoyl]-3-(4-phenylphenyl)-4H-1,2-oxazol-5-yl]acetate Traditional Name: 2-[5-[(3-amidinophenyl)carbamoyl]-3-(4-phenylphenyl)-2-isoxazolin-5-yl]acetic acid methyl ester Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(CC(=NO1)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

COC(=O)CC1(CC(=NO1)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C26H24N4O4/c1-33-23(31)16-26(25(32)29-21-9-5-8-20(14-21)24(27)28)15-22(30-34-26)19-12-10-18(11-13-19)17-6-3-2-4-7-17/h2-14H,15-16H2,1H3,(H3,27,28)(H,29,32)