(3S)-2-(2,2-diphenylethanoyl)-6-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-(2,2-diphenylethanoyl)-6-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-(2,2-diphenylacetyl)-6-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-(1-oxo-2,2-diphenylethyl)-6-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-(2,2-diphenylacetyl)-6-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-(2,2-diphenylacetyl)-6-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C30H25NO3 MolecularWeight: 447.5244

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H25NO3/c32-29(28(22-12-6-2-7-13-22)23-14-8-3-9-15-23)31-20-25-17-16-24(21-10-4-1-5-11-21)18-26(25)19-27(31)30(33)34/h1-18,27-28H,19-20H2,(H,33,34)/t27-/m0/s1