2-[4-(cyclohexylmethylamino)-1-ethyl-pyrazolo[3,4-b]quinolin-6-yl]oxyethanoic acid

Systemtic Name: 2-[4-(cyclohexylmethylamino)-1-ethyl-pyrazolo[3,4-b]quinolin-6-yl]oxyethanoic acid Openeye Name: 2-[4-(cyclohexylmethylamino)-1-ethyl-pyrazolo[3,4-b]quinolin-6-yl]oxyacetic acid CAS Name: 2-[[4-(cyclohexylmethylamino)-1-ethyl-6-pyrazolo[3,4-b]quinolinyl]oxy]acetic acid IUPAC Name: 2-[4-(cyclohexylmethylamino)-1-ethylpyrazolo[3,4-b]quinolin-6-yl]oxyacetic acid Traditional Name: 2-[4-(cyclohexylmethylamino)-1-ethyl-pyrazolo[3,4-b]quinolin-6-yl]oxyacetic acid Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC3=C(C=C(C=C3)OCC(=O)O)C(=C2C=N1)NCC4CCCCC4

Isomeric SMILES

CCN1C2=NC3=C(C=C(C=C3)OCC(=O)O)C(=C2C=N1)NCC4CCCCC4

InChI

InChI=1S/C21H26N4O3/c1-2-25-21-17(12-23-25)20(22-11-14-6-4-3-5-7-14)16-10-15(28-13-19(26)27)8-9-18(16)24-21/h8-10,12,14H,2-7,11,13H2,1H3,(H,22,24)(H,26,27)