1-(1,3-benzodioxol-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(4,6-dimethyl-2-pyrimidinyl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C29H25N3O4 MolecularWeight: 479.5265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(C(C3=CC=CC=C3C2C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(C(C3=CC=CC=C3C2C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)C(=O)O)C

InChI

InChI=1S/C29H25N3O4/c1-17-14-18(2)31-29(30-17)32-26(20-12-13-23-24(15-20)36-16-35-23)22-11-7-6-10-21(22)25(27(32)28(33)34)19-8-4-3-5-9-19/h3-15,25-27H,16H2,1-2H3,(H,33,34)