2-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[6-(4-benzyloxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidin-3-yl]amino]-2-oxo-acetic acid CAS Name: 2-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-pyrazolo[1,5-a]pyrimidinyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]amino]-2-oxoacetic acid Traditional Name: 2-[[6-(4-benzoxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidin-3-yl]amino]-2-keto-acetic acid Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)NC(=O)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)NC(=O)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O4/c32-26(27(33)34)30-23-16-29-31-24(20-9-5-2-6-10-20)22(15-28-25(23)31)19-11-13-21(14-12-19)35-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,20H,2,5-6,9-10,17H2,(H,30,32)(H,33,34)