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

Systemtic Name: methyl 2-(2,2-diphenylethanoyl)-5-pentyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(2,2-diphenylacetyl)-5-pentyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(1-oxo-2,2-diphenylethyl)-5-pentyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,2-diphenylacetyl)-5-pentyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 5-amyl-2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C30H33NO3 MolecularWeight: 455.58792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC2=C1CC(N(C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCCCCC1=CC=CC2=C1CC(N(C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C30H33NO3/c1-3-4-7-13-22-18-12-19-25-21-31(27(20-26(22)25)30(33)34-2)29(32)28(23-14-8-5-9-15-23)24-16-10-6-11-17-24/h5-6,8-12,14-19,27-28H,3-4,7,13,20-21H2,1-2H3