2-(5,5-dimethyl-8-pyridin-2-yl-6H-naphthalen-2-yl)ethynyl benzoate

Systemtic Name: 2-(5,5-dimethyl-8-pyridin-2-yl-6H-naphthalen-2-yl)ethynyl benzoate Openeye Name: 2-[5,5-dimethyl-8-(2-pyridyl)-6H-naphthalen-2-yl]ethynyl benzoate CAS Name: benzoic acid 2-[5,5-dimethyl-8-(2-pyridinyl)-6H-naphthalen-2-yl]ethynyl ester IUPAC Name: 2-(5,5-dimethyl-8-pyridin-2-yl-6H-naphthalen-2-yl)ethynyl benzoate Traditional Name: benzoic acid 2-[5,5-dimethyl-8-(2-pyridyl)-6H-naphthalen-2-yl]ethynyl ester Formula: C26H21NO2 MolecularWeight: 379.45044

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C4=CC=CC=N4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C4=CC=CC=N4)C

InChI

InChI=1S/C26H21NO2/c1-26(2)15-13-21(24-10-6-7-16-27-24)22-18-19(11-12-23(22)26)14-17-29-25(28)20-8-4-3-5-9-20/h3-13,16,18H,15H2,1-2H3