O3-methyl O2-(phenylmethyl) (1R,3S)-1-ethenyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate

Systemtic Name: O3-methyl O2-(phenylmethyl) (1R,3S)-1-ethenyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: O2-benzyl O3-methyl (1R,3S)-1-vinyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate CAS Name: (1R,3S)-1-ethenyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O3-methyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 3-O-methyl (1R,3S)-1-ethenyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Traditional Name: (1R,3S)-1-vinyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O2-benzyl ester O3-methyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2C(N1C(=O)OCC3=CC=CC=C3)C=C

Isomeric SMILES

COC(=O)[C@@H]1CC2=CC=CC=C2[C@H](N1C(=O)OCC3=CC=CC=C3)C=C

InChI

InChI=1S/C21H21NO4/c1-3-18-17-12-8-7-11-16(17)13-19(20(23)25-2)22(18)21(24)26-14-15-9-5-4-6-10-15/h3-12,18-19H,1,13-14H2,2H3/t18-,19+/m1/s1