2-[(2-methylpropan-2-yl)oxycarbonyl]-7-(3-oxidanylpropoxy)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-(3-oxidanylpropoxy)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-tert-butoxycarbonyl-7-(3-hydroxypropoxy)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 7-(3-hydroxypropoxy)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 7-(3-hydroxypropoxy)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-tert-butoxycarbonyl-7-(3-hydroxypropoxy)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)O)C=CC(=C2)OCCCO

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)O)C=CC(=C2)OCCCO

InChI

InChI=1S/C18H25NO6/c1-18(2,3)25-17(23)19-11-13-9-14(24-8-4-7-20)6-5-12(13)10-15(19)16(21)22/h5-6,9,15,20H,4,7-8,10-11H2,1-3H3,(H,21,22)