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

Systemtic Name: methyl 2-[3-(2-carbamimidoylphenyl)-5-[(4-carbamimidoylphenyl)carbamoyl]-4H-1,2-oxazol-5-yl]ethanoate Openeye Name: methyl 2-[3-(2-carbamimidoylphenyl)-5-[(4-carbamimidoylphenyl)carbamoyl]-4H-isoxazol-5-yl]acetate CAS Name: 2-[5-[(4-carbamimidoylanilino)-oxomethyl]-3-(2-carbamimidoylphenyl)-4H-isoxazol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(2-carbamimidoylphenyl)-5-[(4-carbamimidoylphenyl)carbamoyl]-4H-1,2-oxazol-5-yl]acetate Traditional Name: 2-[3-(2-amidinophenyl)-5-[(4-amidinophenyl)carbamoyl]-2-isoxazolin-5-yl]acetic acid methyl ester Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(CC(=NO1)C2=CC=CC=C2C(=N)N)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC1(CC(=NO1)C2=CC=CC=C2C(=N)N)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H22N6O4/c1-30-17(28)11-21(20(29)26-13-8-6-12(7-9-13)18(22)23)10-16(27-31-21)14-4-2-3-5-15(14)19(24)25/h2-9H,10-11H2,1H3,(H3,22,23)(H3,24,25)(H,26,29)