tert-butyl N-[2-[(isoquinolin-1-ylcarbonylamino)carbamoyloxy]ethyl]-N-(phenanthren-9-ylmethyl)carbamate

Systemtic Name: tert-butyl N-[2-[(isoquinolin-1-ylcarbonylamino)carbamoyloxy]ethyl]-N-(phenanthren-9-ylmethyl)carbamate Openeye Name: tert-butyl N-[2-[(isoquinoline-1-carbonylamino)carbamoyloxy]ethyl]-N-(9-phenanthrylmethyl)carbamate CAS Name: N-[2-[[[1-isoquinolinyl(oxo)methyl]hydrazo]-oxomethoxy]ethyl]-N-(9-phenanthrenylmethyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(isoquinoline-1-carbonylamino)carbamoyloxy]ethyl]-N-(phenanthren-9-ylmethyl)carbamate Traditional Name: N-[2-[(isoquinoline-1-carbonylamino)carbamoyloxy]ethyl]-N-(9-phenanthrylmethyl)carbamic acid tert-butyl ester Formula: C33H32N4O5 MolecularWeight: 564.63098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCOC(=O)NNC(=O)C1=NC=CC2=CC=CC=C21)CC3=CC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

CC(C)(C)OC(=O)N(CCOC(=O)NNC(=O)C1=NC=CC2=CC=CC=C21)CC3=CC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C33H32N4O5/c1-33(2,3)42-32(40)37(21-24-20-23-11-5-6-12-25(23)28-15-9-8-13-26(24)28)18-19-41-31(39)36-35-30(38)29-27-14-7-4-10-22(27)16-17-34-29/h4-17,20H,18-19,21H2,1-3H3,(H,35,38)(H,36,39)