5-{2-azatricyclo[10.4.0.0?,?]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-5-oxopentanoic acid

CAS: 1207355-31-4

Formula: C20H17NO3

SMILES: OC(=O)CCCC(=O)N1CC2=CC=CC=C2C#CC2=CC=CC=C12

IUPAC: 5-{2-azatricyclo[10.4.0.0?,?]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-5-oxopentanoic acid

InChI: InChI=1S/C20H17NO3/c22-19(10-5-11-20(23)24)21-14-17-8-2-1-6-15(17)12-13-16-7-3-4-9-18(16)21/h1-4,6-9H,5,10-11,14H2,(H,23,24)

Composition: C (75.22%), H (5.37%), N (4.39%), O (15.03%)

Molar Mass: 319.36

Atom Count: 41

Heavy Atom Count: 24