methyl (1R,3S)-5-bromanyl-8-methoxy-1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: methyl (1R,3S)-5-bromanyl-8-methoxy-1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: methyl (1R,3S)-1-(benzyloxymethyl)-5-bromo-8-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: (1R,3S)-5-bromo-8-methoxy-1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-5-bromo-8-methoxy-1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: (1R,3S)-1-(benzoxymethyl)-5-bromo-8-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(NC(CC2=C(C=C1)Br)C(=O)OC)COCC3=CC=CC=C3

Isomeric SMILES

COC1=C2[C@@H](N[C@@H](CC2=C(C=C1)Br)C(=O)OC)COCC3=CC=CC=C3

InChI

InChI=1S/C20H22BrNO4/c1-24-18-9-8-15(21)14-10-16(20(23)25-2)22-17(19(14)18)12-26-11-13-6-4-3-5-7-13/h3-9,16-17,22H,10-12H2,1-2H3/t16-,17-/m0/s1