tert-butyl N-[2-[(isoquinolin-1-ylcarbonylamino)carbamoyloxy]ethyl]-N-[(E)-3-phenylprop-2-enyl]carbamate

Systemtic Name: tert-butyl N-[2-[(isoquinolin-1-ylcarbonylamino)carbamoyloxy]ethyl]-N-[(E)-3-phenylprop-2-enyl]carbamate Openeye Name: tert-butyl N-[(E)-cinnamyl]-N-[2-[(isoquinoline-1-carbonylamino)carbamoyloxy]ethyl]carbamate CAS Name: N-[2-[[[1-isoquinolinyl(oxo)methyl]hydrazo]-oxomethoxy]ethyl]-N-[(E)-3-phenylprop-2-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(isoquinoline-1-carbonylamino)carbamoyloxy]ethyl]-N-[(E)-3-phenylprop-2-enyl]carbamate Traditional Name: N-[(E)-cinnamyl]-N-[2-[(isoquinoline-1-carbonylamino)carbamoyloxy]ethyl]carbamic acid tert-butyl ester Formula: C27H30N4O5 MolecularWeight: 490.5509

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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)CC=CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CCOC(=O)NNC(=O)C1=NC=CC2=CC=CC=C21)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C27H30N4O5/c1-27(2,3)36-26(34)31(17-9-12-20-10-5-4-6-11-20)18-19-35-25(33)30-29-24(32)23-22-14-8-7-13-21(22)15-16-28-23/h4-16H,17-19H2,1-3H3,(H,29,32)(H,30,33)/b12-9+