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

Systemtic Name: 2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]ethanoic acid Openeye Name: 2-[3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]acetic acid CAS Name: 2-[3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]acetic acid IUPAC Name: 2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]acetic acid Traditional Name: 2-[3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]acetic acid Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H32N2O5/c1-17(2)16-29-22(15-28-26(33)34-27(3,4)5)24(19-9-7-6-8-10-19)21-13-18(14-23(30)31)11-12-20(21)25(29)32/h6-13,17H,14-16H2,1-5H3,(H,28,33)(H,30,31)