4-[(E)-2-(5,5-dimethyl-8-pyrimidin-5-yl-6H-naphthalen-2-yl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-(5,5-dimethyl-8-pyrimidin-5-yl-6H-naphthalen-2-yl)ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(5,5-dimethyl-8-pyrimidin-5-yl-6H-naphthalen-2-yl)vinyl]benzoic acid CAS Name: 4-[(E)-2-[5,5-dimethyl-8-(5-pyrimidinyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(5,5-dimethyl-8-pyrimidin-5-yl-6H-naphthalen-2-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-2-[5,5-dimethyl-8-(5-pyrimidyl)-6H-naphthalen-2-yl]vinyl]benzoic acid Formula: C25H22N2O2 MolecularWeight: 382.45438

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C=CC3=CC=C(C=C3)C(=O)O)C4=CN=CN=C4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)/C=C/C3=CC=C(C=C3)C(=O)O)C4=CN=CN=C4)C

InChI

InChI=1S/C25H22N2O2/c1-25(2)12-11-21(20-14-26-16-27-15-20)22-13-18(7-10-23(22)25)4-3-17-5-8-19(9-6-17)24(28)29/h3-11,13-16H,12H2,1-2H3,(H,28,29)/b4-3+