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

Systemtic Name: ethyl 3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]propanoate Openeye Name: ethyl 3-[3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]propanoate CAS Name: 3-[3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]propanoate Traditional Name: 3-[3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]propionic acid ethyl ester Formula: C30H38N2O5 MolecularWeight: 506.63312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)CNC(=O)OC(C)(C)C)CC(C)C

Isomeric SMILES

CCOC(=O)CCC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)CNC(=O)OC(C)(C)C)CC(C)C

InChI

InChI=1S/C30H38N2O5/c1-7-36-26(33)16-14-21-13-15-23-24(17-21)27(22-11-9-8-10-12-22)25(32(28(23)34)19-20(2)3)18-31-29(35)37-30(4,5)6/h8-13,15,17,20H,7,14,16,18-19H2,1-6H3,(H,31,35)