2-[5,5-dimethyl-8-(6-methylpyridin-3-yl)-6H-naphthalen-2-yl]ethynyl benzoate

Systemtic Name: 2-[5,5-dimethyl-8-(6-methylpyridin-3-yl)-6H-naphthalen-2-yl]ethynyl benzoate Openeye Name: 2-[5,5-dimethyl-8-(6-methyl-3-pyridyl)-6H-naphthalen-2-yl]ethynyl benzoate CAS Name: benzoic acid 2-[5,5-dimethyl-8-(6-methyl-3-pyridinyl)-6H-naphthalen-2-yl]ethynyl ester IUPAC Name: 2-[5,5-dimethyl-8-(6-methylpyridin-3-yl)-6H-naphthalen-2-yl]ethynyl benzoate Traditional Name: benzoic acid 2-[5,5-dimethyl-8-(6-methyl-3-pyridyl)-6H-naphthalen-2-yl]ethynyl ester Formula: C27H23NO2 MolecularWeight: 393.47702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C2=CCC(C3=C2C=C(C=C3)C#COC(=O)C4=CC=CC=C4)(C)C

Isomeric SMILES

CC1=NC=C(C=C1)C2=CCC(C3=C2C=C(C=C3)C#COC(=O)C4=CC=CC=C4)(C)C

InChI

InChI=1S/C27H23NO2/c1-19-9-11-22(18-28-19)23-13-15-27(2,3)25-12-10-20(17-24(23)25)14-16-30-26(29)21-7-5-4-6-8-21/h4-13,17-18H,15H2,1-3H3