ethyl 4-[5,5-dimethyl-8-(6-methylpyridin-3-yl)-6H-anthracen-1-yl]benzoate

Systemtic Name: ethyl 4-[5,5-dimethyl-8-(6-methylpyridin-3-yl)-6H-anthracen-1-yl]benzoate Openeye Name: ethyl 4-[5,5-dimethyl-8-(6-methyl-3-pyridyl)-6H-anthracen-1-yl]benzoate CAS Name: 4-[5,5-dimethyl-8-(6-methyl-3-pyridinyl)-6H-anthracen-1-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5,5-dimethyl-8-(6-methylpyridin-3-yl)-6H-anthracen-1-yl]benzoate Traditional Name: 4-[5,5-dimethyl-8-(6-methyl-3-pyridyl)-6H-anthracen-1-yl]benzoic acid ethyl ester Formula: C31H29NO2 MolecularWeight: 447.56746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=CC3=CC4=C(C=C32)C(=CCC4(C)C)C5=CN=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=CC3=CC4=C(C=C32)C(=CCC4(C)C)C5=CN=C(C=C5)C

InChI

InChI=1S/C31H29NO2/c1-5-34-30(33)22-13-11-21(12-14-22)25-8-6-7-23-17-29-28(18-27(23)25)26(15-16-31(29,3)4)24-10-9-20(2)32-19-24/h6-15,17-19H,5,16H2,1-4H3