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

Systemtic Name: 2-(2,2-diphenylethanoyl)-5-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2,2-diphenylacetyl)-5-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 5-methyl-2-(1-oxo-2,2-diphenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2,2-diphenylacetyl)-5-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2,2-diphenylacetyl)-5-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1CC(N(C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC2=C1CC(N(C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H23NO3/c1-17-9-8-14-20-16-26(22(25(28)29)15-21(17)20)24(27)23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-14,22-23H,15-16H2,1H3,(H,28,29)