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

Systemtic Name: methyl 4-[(E)-2-(5,5-dimethyl-8-pyrimidin-5-yl-6H-naphthalen-2-yl)ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-(5,5-dimethyl-8-pyrimidin-5-yl-6H-naphthalen-2-yl)vinyl]benzoate CAS Name: 4-[(E)-2-[5,5-dimethyl-8-(5-pyrimidinyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(5,5-dimethyl-8-pyrimidin-5-yl-6H-naphthalen-2-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-[5,5-dimethyl-8-(5-pyrimidyl)-6H-naphthalen-2-yl]vinyl]benzoic acid methyl ester Formula: C26H24N2O2 MolecularWeight: 396.48096

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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)OC)C4=CN=CN=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O2/c1-26(2)13-12-22(21-15-27-17-28-16-21)23-14-19(8-11-24(23)26)5-4-18-6-9-20(10-7-18)25(29)30-3/h4-12,14-17H,13H2,1-3H3/b5-4+