(phenylmethyl) 7-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 7-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 7-(benzyloxycarbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-(benzyloxycarbonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4/c28-24(30-17-19-7-3-1-4-8-19)26-23-12-11-21-13-14-27(16-22(21)15-23)25(29)31-18-20-9-5-2-6-10-20/h1-12,15H,13-14,16-18H2,(H,26,28)