2-[(2-methylpropan-2-yl)oxycarbonyl]-7-phenylmethoxy-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-phenylmethoxy-1H-isoquinoline-3-carboxylic acid Openeye Name: 7-benzyloxy-2-tert-butoxycarbonyl-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(2-methylpropan-2-yl)oxy-oxomethyl]-7-phenylmethoxy-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-phenylmethoxy-1H-isoquinoline-3-carboxylic acid Traditional Name: 7-benzoxy-2-tert-butoxycarbonyl-1H-isoquinoline-3-carboxylic acid Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(C=CC(=C2)OCC3=CC=CC=C3)C=C1C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C=CC(=C2)OCC3=CC=CC=C3)C=C1C(=O)O

InChI

InChI=1S/C22H23NO5/c1-22(2,3)28-21(26)23-13-17-11-18(27-14-15-7-5-4-6-8-15)10-9-16(17)12-19(23)20(24)25/h4-12H,13-14H2,1-3H3,(H,24,25)