(phenylmethyl) (1S)-1-(2-aminophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) (1S)-1-(2-aminophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (1S)-1-(2-aminophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1S)-1-(2-aminophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S)-1-(2-aminophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1S)-1-(2-aminophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4N)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4N)OC

InChI

InChI=1S/C25H26N2O4/c1-29-22-14-18-12-13-27(25(28)31-16-17-8-4-3-5-9-17)24(20(18)15-23(22)30-2)19-10-6-7-11-21(19)26/h3-11,14-15,24H,12-13,16,26H2,1-2H3/t24-/m1/s1