methyl 2-(2,2-diphenylethanoyl)-6-phenoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(2,2-diphenylethanoyl)-6-phenoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(2,2-diphenylacetyl)-6-phenoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(1-oxo-2,2-diphenylethyl)-6-phenoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,2-diphenylacetyl)-6-phenoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2,2-diphenylacetyl)-6-phenoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C31H27NO4 MolecularWeight: 477.55038

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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(=C2)OC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1CC2=C(CN1C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)OC5=CC=CC=C5

InChI

InChI=1S/C31H27NO4/c1-35-31(34)28-20-25-19-27(36-26-15-9-4-10-16-26)18-17-24(25)21-32(28)30(33)29(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-19,28-29H,20-21H2,1H3