methyl (3R)-2-[2-[(E)-3-phenylprop-2-enoyl]oxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[(E)-3-phenylprop-2-enoyl]oxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-[(E)-1-oxo-3-phenylprop-2-enoxy]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[(E)-3-phenylacryloyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H21NO5/c1-27-22(26)19-13-17-9-5-6-10-18(17)14-23(19)20(24)15-28-21(25)12-11-16-7-3-2-4-8-16/h2-12,19H,13-15H2,1H3/b12-11+/t19-/m1/s1