2-[7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-oxidanylidene-isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-oxidanylidene-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[7-(4-tert-butoxycarbonylpiperazin-1-yl)-1-oxo-2-isoquinolyl]acetic acid CAS Name: 2-[7-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-1-oxo-2-isoquinolinyl]acetic acid IUPAC Name: 2-[7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-oxoisoquinolin-2-yl]acetic acid Traditional Name: 2-[7-(4-tert-butoxycarbonylpiperazino)-1-keto-2-isoquinolyl]acetic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C=CN(C3=O)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C=CN(C3=O)CC(=O)O

InChI

InChI=1S/C20H25N3O5/c1-20(2,3)28-19(27)22-10-8-21(9-11-22)15-5-4-14-6-7-23(13-17(24)25)18(26)16(14)12-15/h4-7,12H,8-11,13H2,1-3H3,(H,24,25)