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

Systemtic Name: 4-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[6-(4-benzyloxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidin-3-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-pyrazolo[1,5-a]pyrimidinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[6-(4-benzoxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidin-3-yl]amino]-4-keto-butyric acid Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O4/c34-26(15-16-27(35)36)32-25-18-31-33-28(22-9-5-2-6-10-22)24(17-30-29(25)33)21-11-13-23(14-12-21)37-19-20-7-3-1-4-8-20/h1,3-4,7-8,11-14,17-18,22H,2,5-6,9-10,15-16,19H2,(H,32,34)(H,35,36)