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

Systemtic Name: methyl 2-(2,2-diphenylethanoyl)-5-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(2,2-diphenylacetyl)-5-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(1-oxo-2,2-diphenylethyl)-5-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,2-diphenylacetyl)-5-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2,2-diphenylacetyl)-5-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C31H27NO3 MolecularWeight: 461.55098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(C=CC=C2CN1C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1CC2=C(C=CC=C2CN1C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H27NO3/c1-35-31(34)28-20-27-25(18-11-19-26(27)22-12-5-2-6-13-22)21-32(28)30(33)29(23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-19,28-29H,20-21H2,1H3