2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3,4-dihydro-1H-isoquinoline-8-carboxylic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3,4-dihydro-1H-isoquinoline-8-carboxylic acid Openeye Name: 2-tert-butoxycarbonyl-5-phenyl-3,4-dihydro-1H-isoquinoline-8-carboxylic acid CAS Name: 2-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-phenyl-3,4-dihydro-1H-isoquinoline-8-carboxylic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3,4-dihydro-1H-isoquinoline-8-carboxylic acid Traditional Name: 2-tert-butoxycarbonyl-5-phenyl-3,4-dihydro-1H-isoquinoline-8-carboxylic acid Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C=CC(=C2C1)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C=CC(=C2C1)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO4/c1-21(2,3)26-20(25)22-12-11-16-15(14-7-5-4-6-8-14)9-10-17(19(23)24)18(16)13-22/h4-10H,11-13H2,1-3H3,(H,23,24)