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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C(C1C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2[C@H]([C@@H]1C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO4/c1-21(2,3)26-20(25)22-13-15-11-7-8-12-16(15)17(18(22)19(23)24)14-9-5-4-6-10-14/h4-12,17-18H,13H2,1-3H3,(H,23,24)/t17-,18-/m1/s1