methyl 4-(5,5-dimethyl-8-pyridin-3-yl-6H-anthracen-2-yl)benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=C3C=CC(=CC3=C2)C4=CC=C(C=C4)C(=O)OC)C5=CN=CC=C5)C

Isomeric SMILES

CC1(CC=C(C2=C1C=C3C=CC(=CC3=C2)C4=CC=C(C=C4)C(=O)OC)C5=CN=CC=C5)C

InChI

InChI=1S/C29H25NO2/c1-29(2)13-12-25(23-5-4-14-30-18-23)26-16-24-15-21(10-11-22(24)17-27(26)29)19-6-8-20(9-7-19)28(31)32-3/h4-12,14-18H,13H2,1-3H3