methyl (3R)-2-(2,2-diphenylethanoyl)-5-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-(2,2-diphenylethanoyl)-5-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-5-benzyl-2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(1-oxo-2,2-diphenylethyl)-5-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-5-benzyl-2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-5-benzyl-2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C32H29NO3 MolecularWeight: 475.57756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CN1C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC=C2CC5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@H]1CC2=C(CN1C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC=C2CC5=CC=CC=C5

InChI

InChI=1S/C32H29NO3/c1-36-32(35)29-21-28-26(20-23-12-5-2-6-13-23)18-11-19-27(28)22-33(29)31(34)30(24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-19,29-30H,20-22H2,1H3/t29-/m1/s1