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

Systemtic Name: ethyl (1R)-6-methoxy-7-oxidanyl-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl (1R)-1-[(4-benzyloxyphenyl)methyl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1R)-7-hydroxy-6-methoxy-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1R)-7-hydroxy-6-methoxy-1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1R)-1-(4-benzoxybenzyl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OCC4=CC=CC=C4)O)OC

Isomeric SMILES

CCOC(=O)N1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OCC4=CC=CC=C4)O)OC

InChI

InChI=1S/C27H29NO5/c1-3-32-27(30)28-14-13-21-16-26(31-2)25(29)17-23(21)24(28)15-19-9-11-22(12-10-19)33-18-20-7-5-4-6-8-20/h4-12,16-17,24,29H,3,13-15,18H2,1-2H3/t24-/m1/s1