2-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 6-benzyloxy-2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-[(2-methylpropan-2-yl)oxy-oxomethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 6-benzoxy-2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)O)C=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)O)C=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO5/c1-22(2,3)28-21(26)23-12-11-16-13-17(9-10-18(16)19(23)20(24)25)27-14-15-7-5-4-6-8-15/h4-10,13,19H,11-12,14H2,1-3H3,(H,24,25)