O2-tert-butyl O1-(phenylmethyl) 6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate

Systemtic Name: O2-tert-butyl O1-(phenylmethyl) 6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Openeye Name: O1-benzyl O2-tert-butyl 6-benzyloxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate CAS Name: 6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O-tert-butyl 6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Traditional Name: 6-benzoxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O1-benzyl ester O2-tert-butyl ester Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)OCC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)OCC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4

InChI

InChI=1S/C29H31NO5/c1-29(2,3)35-28(32)30-17-16-23-18-24(33-19-21-10-6-4-7-11-21)14-15-25(23)26(30)27(31)34-20-22-12-8-5-9-13-22/h4-15,18,26H,16-17,19-20H2,1-3H3