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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C(=CC=C2)CC3=CC=CC=C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1[C@H](N(CC2=C1C(=CC=C2)CC3=CC=CC=C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H27NO3/c33-30(29(23-13-6-2-7-14-23)24-15-8-3-9-16-24)32-21-26-18-10-17-25(19-22-11-4-1-5-12-22)27(26)20-28(32)31(34)35/h1-18,28-29H,19-21H2,(H,34,35)/t28-/m0/s1