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

Systemtic Name: ethyl (1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl (1S)-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1S)-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1S)-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1S)-7-hydroxy-1-(4-hydroxybenzyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5/c1-3-26-20(24)21-9-8-14-11-19(25-2)18(23)12-16(14)17(21)10-13-4-6-15(22)7-5-13/h4-7,11-12,17,22-23H,3,8-10H2,1-2H3/t17-/m0/s1