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

Systemtic Name: ethyl (1S)-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl (1S)-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1S)-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1S)-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1S)-1-(4-hydroxybenzyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC

Isomeric SMILES

CCOC(=O)N1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)O)OC)OC

InChI

InChI=1S/C21H25NO5/c1-4-27-21(24)22-10-9-15-12-19(25-2)20(26-3)13-17(15)18(22)11-14-5-7-16(23)8-6-14/h5-8,12-13,18,23H,4,9-11H2,1-3H3/t18-/m0/s1