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

Systemtic Name: 2-[7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]butanoic acid Openeye Name: 2-[7-(4-tert-butoxycarbonylpiperazin-1-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]butanoic acid CAS Name: 2-[7-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]butanoic acid IUPAC Name: 2-[7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-oxo-3,4-dihydroisoquinolin-2-yl]butanoic acid Traditional Name: 2-[7-(4-tert-butoxycarbonylpiperazino)-1-keto-3,4-dihydroisoquinolin-2-yl]butyric acid Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1CCC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C(=O)O)N1CCC2=C(C1=O)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31N3O5/c1-5-18(20(27)28)25-9-8-15-6-7-16(14-17(15)19(25)26)23-10-12-24(13-11-23)21(29)30-22(2,3)4/h6-7,14,18H,5,8-13H2,1-4H3,(H,27,28)