2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]pyridin-3-yl]cyclopentane-1,3-dione

Systemtic Name: 2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]pyridin-3-yl]cyclopentane-1,3-dione Openeye Name: 2-[6-[1-(3,5,5,8,8-pentamethyl-2-naphthyl)vinyl]-3-pyridyl]cyclopentane-1,3-dione CAS Name: 2-[6-[1-(3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]-3-pyridinyl]cyclopentane-1,3-dione IUPAC Name: 2-[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]pyridin-3-yl]cyclopentane-1,3-dione Traditional Name: 2-[6-[1-(3,5,5,8,8-pentamethyl-2-naphthyl)vinyl]-3-pyridyl]cyclopentane-1,3-quinone Formula: C27H29NO2 MolecularWeight: 399.52466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=C)C3=NC=C(C=C3)C4C(=O)CCC4=O)C(C=CC2(C)C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C(=C)C3=NC=C(C=C3)C4C(=O)CCC4=O)C(C=CC2(C)C)(C)C

InChI

InChI=1S/C27H29NO2/c1-16-13-20-21(27(5,6)12-11-26(20,3)4)14-19(16)17(2)22-8-7-18(15-28-22)25-23(29)9-10-24(25)30/h7-8,11-15,25H,2,9-10H2,1,3-6H3