4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]piperidine-1-carboxylic acid Openeye Name: 4-[(2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidine-1-carboxylic acid CAS Name: 4-[[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]piperidine-1-carboxylic acid Traditional Name: 4-[(2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidine-1-carboxylic acid Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)OCC3CCN(CC3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)OCC3CCN(CC3)C(=O)O

InChI

InChI=1S/C21H30N2O5/c1-21(2,3)28-20(26)23-11-8-16-4-5-18(12-17(16)13-23)27-14-15-6-9-22(10-7-15)19(24)25/h4-5,12,15H,6-11,13-14H2,1-3H3,(H,24,25)