ethyl (3R)-2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: ethyl (3R)-2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl (3R)-2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(2,3,4-trimethoxybenzyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2CN1CC3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1CC2=CC=CC=C2CN1CC3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C22H27NO5/c1-5-28-22(24)18-12-15-8-6-7-9-16(15)13-23(18)14-17-10-11-19(25-2)21(27-4)20(17)26-3/h6-11,18H,5,12-14H2,1-4H3/t18-/m1/s1