2-[7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[7-(4-tert-butoxycarbonylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid CAS Name: 2-[7-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid IUPAC Name: 2-[7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Traditional Name: 2-[7-(4-tert-butoxycarbonylpiperazino)-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4/c1-20(2,3)27-19(26)23-10-8-22(9-11-23)17-5-4-15-6-7-21(14-18(24)25)13-16(15)12-17/h4-5,12H,6-11,13-14H2,1-3H3,(H,24,25)