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

Systemtic Name: methyl 2-[3-(3-carbamimidoylphenyl)-5-(4-pyrimidin-5-ylpiperidin-1-yl)carbonyl-4H-1,2-oxazol-5-yl]ethanoate Openeye Name: methyl 2-[3-(3-carbamimidoylphenyl)-5-(4-pyrimidin-5-ylpiperidine-1-carbonyl)-4H-isoxazol-5-yl]acetate CAS Name: 2-[3-(3-carbamimidoylphenyl)-5-[oxo-[4-(5-pyrimidinyl)-1-piperidinyl]methyl]-4H-isoxazol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3-carbamimidoylphenyl)-5-(4-pyrimidin-5-ylpiperidine-1-carbonyl)-4H-1,2-oxazol-5-yl]acetate Traditional Name: 2-[3-(3-amidinophenyl)-5-[4-(5-pyrimidyl)piperidine-1-carbonyl]-2-isoxazolin-5-yl]acetic acid methyl ester Formula: C23H26N6O4 MolecularWeight: 450.49034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(CC(=NO1)C2=CC(=CC=C2)C(=N)N)C(=O)N3CCC(CC3)C4=CN=CN=C4

Isomeric SMILES

COC(=O)CC1(CC(=NO1)C2=CC(=CC=C2)C(=N)N)C(=O)N3CCC(CC3)C4=CN=CN=C4

InChI

InChI=1S/C23H26N6O4/c1-32-20(30)11-23(10-19(28-33-23)16-3-2-4-17(9-16)21(24)25)22(31)29-7-5-15(6-8-29)18-12-26-14-27-13-18/h2-4,9,12-15H,5-8,10-11H2,1H3,(H3,24,25)