(phenylmethyl) (3R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) (3R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: benzyl (3R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: (3R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: (3R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CNC(CC2=C1)C(=O)OCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C2CN[C@H](CC2=C1)C(=O)OCC3=CC=CC=C3)OCC

InChI

InChI=1S/C21H25NO4/c1-3-24-19-11-16-10-18(22-13-17(16)12-20(19)25-4-2)21(23)26-14-15-8-6-5-7-9-15/h5-9,11-12,18,22H,3-4,10,13-14H2,1-2H3/t18-/m1/s1