1-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-6-yl]carbonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-6-yl]carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-(2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinoline-6-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinolin-6-yl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carbonyl]piperidine-3-carboxylic acid Traditional Name: 1-(2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinoline-6-carbonyl)nipecotic acid Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C(=O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H28N2O5/c1-21(2,3)28-20(27)23-10-8-14-11-15(6-7-16(14)12-23)18(24)22-9-4-5-17(13-22)19(25)26/h6-7,11,17H,4-5,8-10,12-13H2,1-3H3,(H,25,26)