2-[1-[1-(4-carbamimidoylphenyl)-2-methyl-5-oxidanylidene-3-(4-pyridin-2-ylphenyl)pyrazol-4-yl]carbonylpiperidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[1-[1-(4-carbamimidoylphenyl)-2-methyl-5-oxidanylidene-3-(4-pyridin-2-ylphenyl)pyrazol-4-yl]carbonylpiperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-[1-(4-carbamimidoylphenyl)-2-methyl-5-oxo-3-[4-(2-pyridyl)phenyl]pyrazole-4-carbonyl]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-[[1-(4-carbamimidoylphenyl)-2-methyl-5-oxo-3-[4-(2-pyridinyl)phenyl]-4-pyrazolyl]-oxomethyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-[1-(4-carbamimidoylphenyl)-2-methyl-5-oxo-3-(4-pyridin-2-ylphenyl)pyrazole-4-carbonyl]piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-[1-(4-amidinophenyl)-5-keto-2-methyl-3-[4-(2-pyridyl)phenyl]-3-pyrazoline-4-carbonyl]-4-piperidyl]oxy]acetic acid Formula: C30H30N6O5 MolecularWeight: 554.5964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=C(C=C2)C(=N)N)C(=O)N3CCC(CC3)OCC(=O)O)C4=CC=C(C=C4)C5=CC=CC=N5

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=C(C=C2)C(=N)N)C(=O)N3CCC(CC3)OCC(=O)O)C4=CC=C(C=C4)C5=CC=CC=N5

InChI

InChI=1S/C30H30N6O5/c1-34-27(20-7-5-19(6-8-20)24-4-2-3-15-33-24)26(29(39)35-16-13-23(14-17-35)41-18-25(37)38)30(40)36(34)22-11-9-21(10-12-22)28(31)32/h2-12,15,23H,13-14,16-18H2,1H3,(H3,31,32)(H,37,38)