2-(2,2-diphenylethanoyl)-5-pentyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2,2-diphenylethanoyl)-5-pentyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2,2-diphenylacetyl)-5-pentyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(1-oxo-2,2-diphenylethyl)-5-pentyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2,2-diphenylacetyl)-5-pentyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 5-amyl-2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C29H31NO3 MolecularWeight: 441.56134

Click to see the large picture

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)O

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO3/c1-2-3-6-12-21-17-11-18-24-20-30(26(29(32)33)19-25(21)24)28(31)27(22-13-7-4-8-14-22)23-15-9-5-10-16-23/h4-5,7-11,13-18,26-27H,2-3,6,12,19-20H2,1H3,(H,32,33)