4-[1-[8-(3-azanylpyridin-2-yl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid

Systemtic Name: 4-[1-[8-(3-azanylpyridin-2-yl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid Openeye Name: 4-[1-[8-(3-amino-2-pyridyl)-5,5-dimethyl-6H-naphthalen-2-yl]vinyl]benzoic acid CAS Name: 4-[1-[8-(3-amino-2-pyridinyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid IUPAC Name: 4-[1-[8-(3-aminopyridin-2-yl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid Traditional Name: 4-[1-[8-(3-amino-2-pyridyl)-5,5-dimethyl-6H-naphthalen-2-yl]vinyl]benzoic acid Formula: C26H24N2O2 MolecularWeight: 396.48096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O2/c1-16(17-6-8-18(9-7-17)25(29)30)19-10-11-22-21(15-19)20(12-13-26(22,2)3)24-23(27)5-4-14-28-24/h4-12,14-15H,1,13,27H2,2-3H3,(H,29,30)