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

Systemtic Name: ethyl (3R)-2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl (3R)-2-[(4-benzyloxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(4-benzoxybenzyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2CN1CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CC2=CC=CC=C2CN1CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27NO3/c1-2-29-26(28)25-16-22-10-6-7-11-23(22)18-27(25)17-20-12-14-24(15-13-20)30-19-21-8-4-3-5-9-21/h3-15,25H,2,16-19H2,1H3/t25-/m1/s1