ethyl (1S)-6,7-dimethoxy-1-[(2S)-2-oxidanyl-2-phenyl-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl (1S)-6,7-dimethoxy-1-[(2S)-2-oxidanyl-2-phenyl-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl (1S)-1-[(2S)-2-hydroxy-2-phenyl-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1S)-1-[(2S)-2-hydroxy-2-phenylethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1S)-1-[(2S)-2-hydroxy-2-phenylethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1S)-1-[(2S)-2-hydroxy-2-phenyl-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC(=C(C=C2C1CC(C3=CC=CC=C3)O)OC)OC

Isomeric SMILES

CCOC(=O)N1CCC2=CC(=C(C=C2[C@@H]1C[C@@H](C3=CC=CC=C3)O)OC)OC

InChI

InChI=1S/C22H27NO5/c1-4-28-22(25)23-11-10-16-12-20(26-2)21(27-3)13-17(16)18(23)14-19(24)15-8-6-5-7-9-15/h5-9,12-13,18-19,24H,4,10-11,14H2,1-3H3/t18-,19-/m0/s1