2-[6-bromanyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[6-bromanyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[6-bromo-7-(4-tert-butoxycarbonylpiperazin-1-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[6-bromo-7-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[6-bromo-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-[6-bromo-7-(4-tert-butoxycarbonylpiperazino)-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid Formula: C20H26BrN3O5 MolecularWeight: 468.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3CCN(C(=O)C3=C2)CC(=O)O)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3CCN(C(=O)C3=C2)CC(=O)O)Br

InChI

InChI=1S/C20H26BrN3O5/c1-20(2,3)29-19(28)23-8-6-22(7-9-23)16-11-14-13(10-15(16)21)4-5-24(18(14)27)12-17(25)26/h10-11H,4-9,12H2,1-3H3,(H,25,26)