methyl (1R,3S)-1-[(3-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: methyl (1R,3S)-1-[(3-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: methyl (1R,3S)-1-[(3-benzyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: (1R,3S)-1-[(3-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-1-[(3-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: (1R,3S)-1-(3-benzoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester Formula: C25H25NO3 MolecularWeight: 387.4709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2C(N1)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H]1CC2=CC=CC=C2[C@H](N1)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25NO3/c1-28-25(27)24-16-20-11-5-6-13-22(20)23(26-24)15-19-10-7-12-21(14-19)29-17-18-8-3-2-4-9-18/h2-14,23-24,26H,15-17H2,1H3/t23-,24+/m1/s1