methyl 4-[1-(1-ethynyl-5,5-dimethyl-8-pyridin-3-yl-6H-naphthalen-2-yl)ethenyl]benzoate

Systemtic Name: methyl 4-[1-(1-ethynyl-5,5-dimethyl-8-pyridin-3-yl-6H-naphthalen-2-yl)ethenyl]benzoate Openeye Name: methyl 4-[1-[1-ethynyl-5,5-dimethyl-8-(3-pyridyl)-6H-naphthalen-2-yl]vinyl]benzoate CAS Name: 4-[1-[1-ethynyl-5,5-dimethyl-8-(3-pyridinyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(1-ethynyl-5,5-dimethyl-8-pyridin-3-yl-6H-naphthalen-2-yl)ethenyl]benzoate Traditional Name: 4-[1-[1-ethynyl-5,5-dimethyl-8-(3-pyridyl)-6H-naphthalen-2-yl]vinyl]benzoic acid methyl ester Formula: C29H25NO2 MolecularWeight: 419.5143

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2C#C)C(=C)C3=CC=C(C=C3)C(=O)OC)C4=CN=CC=C4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2C#C)C(=C)C3=CC=C(C=C3)C(=O)OC)C4=CN=CC=C4)C

InChI

InChI=1S/C29H25NO2/c1-6-23-24(19(2)20-9-11-21(12-10-20)28(31)32-5)13-14-26-27(23)25(15-16-29(26,3)4)22-8-7-17-30-18-22/h1,7-15,17-18H,2,16H2,3-5H3