[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]methylcarbamic acid

Systemtic Name: [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]methylcarbamic acid Openeye Name: [3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]methylcarbamic acid CAS Name: [3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]methylcarbamic acid IUPAC Name: [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]methylcarbamic acid Traditional Name: [3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]methylcarbamic acid Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CNC(=O)O)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CNC(=O)O)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C27H33N3O5/c1-17(2)16-30-22(15-29-26(34)35-27(3,4)5)23(19-9-7-6-8-10-19)21-13-18(14-28-25(32)33)11-12-20(21)24(30)31/h6-13,17,28H,14-16H2,1-5H3,(H,29,34)(H,32,33)