2-phenethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-6,7-diol

Systemtic Name: 2-phenethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-6,7-diol Openeye Name: 2-phenethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-6,7-diol CAS Name: 2-phenethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-6,7-diol IUPAC Name: 2-phenethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-6,7-diol Traditional Name: 2-phenethyl-1-(3,4,5-trimethoxybenzyl)-3,4-dihydro-1H-isoquinoline-6,7-diol Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CCN2CCC4=CC=CC=C4)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CCN2CCC4=CC=CC=C4)O)O

InChI

InChI=1S/C27H31NO5/c1-31-25-14-19(15-26(32-2)27(25)33-3)13-22-21-17-24(30)23(29)16-20(21)10-12-28(22)11-9-18-7-5-4-6-8-18/h4-8,14-17,22,29-30H,9-13H2,1-3H3