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

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

CC(C)(C)C1=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

CC(C)(C)C1=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/c1-29(2,3)20-9-5-18(6-10-20)25-24(27(37)33-15-13-22(14-16-33)39-17-23(35)36)28(38)34(32(25)4)21-11-7-19(8-12-21)26(30)31/h5-12,22H,13-17H2,1-4H3,(H3,30,31)(H,35,36)