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

Systemtic Name: 2-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]oxy-propanoic acid Openeye Name: 2-[[3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]oxy]-2-methyl-propanoic acid CAS Name: 2-methyl-2-[[3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]oxy]propanoic acid IUPAC Name: 2-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]oxypropanoic acid Traditional Name: 2-[[3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]oxy]-2-methyl-propionic acid Formula: C29H36N2O6 MolecularWeight: 508.60594

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H36N2O6/c1-18(2)17-31-23(16-30-27(35)37-28(3,4)5)24(19-11-9-8-10-12-19)22-15-20(13-14-21(22)25(31)32)36-29(6,7)26(33)34/h8-15,18H,16-17H2,1-7H3,(H,30,35)(H,33,34)