potassium (3S)-2-(2,2-diphenylethanoyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: potassium (3S)-2-(2,2-diphenylethanoyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: potassium (3S)-5-benzyloxy-2-(2,2-diphenylacetyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: potassium (3S)-6-methoxy-2-(1-oxo-2,2-diphenylethyl)-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: potassium (3S)-2-(2,2-diphenylacetyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: potassium (3S)-5-benzoxy-2-(2,2-diphenylacetyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C32H28KNO5 MolecularWeight: 545.66672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CN(C(C2)C(=O)[O-])C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1)OCC5=CC=CC=C5.[K+]

Isomeric SMILES

COC1=C(C2=C(CN([C@@H](C2)C(=O)[O-])C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1)OCC5=CC=CC=C5.[K+]

InChI

InChI=1S/C32H29NO5.K/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22;/h2-18,27,29H,19-21H2,1H3,(H,35,36);/q;+1/p-1/t27-;/m0./s1