tert-butyl 3-(phenylmethoxycarbonylaminocarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-(phenylmethoxycarbonylaminocarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-(benzyloxycarbonylaminocarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[oxo-(phenylmethoxycarbonylhydrazo)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(phenylmethoxycarbonylaminocarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-(benzyloxycarbonylaminocarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O5/c1-23(2,3)31-22(29)26-14-18-12-8-7-11-17(18)13-19(26)20(27)24-25-21(28)30-15-16-9-5-4-6-10-16/h4-12,19H,13-15H2,1-3H3,(H,24,27)(H,25,28)