2-(4-methoxy-6-methyl-pyrimidin-2-yl)-1,4-diphenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(4-methoxy-6-methyl-pyrimidin-2-yl)-1,4-diphenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(4-methoxy-6-methyl-pyrimidin-2-yl)-1,4-diphenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(4-methoxy-6-methyl-2-pyrimidinyl)-1,4-diphenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diphenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(4-methoxy-6-methyl-pyrimidin-2-yl)-1,4-diphenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(C(C3=CC=CC=C3C2C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(C(C3=CC=CC=C3C2C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)OC

InChI

InChI=1S/C28H25N3O3/c1-18-17-23(34-2)30-28(29-18)31-25(20-13-7-4-8-14-20)22-16-10-9-15-21(22)24(26(31)27(32)33)19-11-5-3-6-12-19/h3-17,24-26H,1-2H3,(H,32,33)