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

Systemtic Name: 3-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[6-(4-benzyloxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidin-3-yl]amino]-3-oxo-propanoic acid CAS Name: 3-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-pyrazolo[1,5-a]pyrimidinyl]amino]-3-oxopropanoic acid IUPAC Name: 3-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]amino]-3-oxopropanoic acid Traditional Name: 3-[[6-(4-benzoxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidin-3-yl]amino]-3-keto-propionic acid Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O4/c33-25(15-26(34)35)31-24-17-30-32-27(21-9-5-2-6-10-21)23(16-29-28(24)32)20-11-13-22(14-12-20)36-18-19-7-3-1-4-8-19/h1,3-4,7-8,11-14,16-17,21H,2,5-6,9-10,15,18H2,(H,31,33)(H,34,35)