2-(4,6-dimethylpyrimidin-2-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-3-carboxylic acid

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-3-carboxylic acid Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-3-carboxylic acid CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-1-(7-methoxy-1,3-benzodioxol-5-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-3-carboxylic acid Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-(7-methoxy-1,3-benzodioxol-5-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-3-carboxylic acid Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(C3=CC=CC=C3C(C2C(=O)O)(C)C)C4=CC5=C(C(=C4)OC)OCO5)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(C3=CC=CC=C3C(C2C(=O)O)(C)C)C4=CC5=C(C(=C4)OC)OCO5)C

InChI

InChI=1S/C26H27N3O5/c1-14-10-15(2)28-25(27-14)29-21(16-11-19(32-5)22-20(12-16)33-13-34-22)17-8-6-7-9-18(17)26(3,4)23(29)24(30)31/h6-12,21,23H,13H2,1-5H3,(H,30,31)