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

Systemtic Name: 2-[1-[3-(4-butylphenyl)-1-(4-carbamimidoylphenyl)-2-methyl-5-oxidanylidene-pyrazol-4-yl]carbonylpiperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-[3-(4-butylphenyl)-1-(4-carbamimidoylphenyl)-2-methyl-5-oxo-pyrazole-4-carbonyl]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-[[3-(4-butylphenyl)-1-(4-carbamimidoylphenyl)-2-methyl-5-oxo-4-pyrazolyl]-oxomethyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-[3-(4-butylphenyl)-1-(4-carbamimidoylphenyl)-2-methyl-5-oxopyrazole-4-carbonyl]piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-[1-(4-amidinophenyl)-3-(4-butylphenyl)-5-keto-2-methyl-3-pyrazoline-4-carbonyl]-4-piperidyl]oxy]acetic acid Formula: C29H35N5O5 MolecularWeight: 533.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(C(=O)N(N2C)C3=CC=C(C=C3)C(=N)N)C(=O)N4CCC(CC4)OCC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(C(=O)N(N2C)C3=CC=C(C=C3)C(=N)N)C(=O)N4CCC(CC4)OCC(=O)O

InChI

InChI=1S/C29H35N5O5/c1-3-4-5-19-6-8-20(9-7-19)26-25(28(37)33-16-14-23(15-17-33)39-18-24(35)36)29(38)34(32(26)2)22-12-10-21(11-13-22)27(30)31/h6-13,23H,3-5,14-18H2,1-2H3,(H3,30,31)(H,35,36)