4-[2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid

Systemtic Name: 4-[2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid Openeye Name: 4-[2-oxo-1-(4-pyridylmethyl)acenaphthylen-1-yl]butanoic acid CAS Name: 4-[2-oxo-1-(pyridin-4-ylmethyl)-1-acenaphthylenyl]butanoic acid IUPAC Name: 4-[2-oxo-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid Traditional Name: 4-[2-keto-1-(4-pyridylmethyl)acenaphthen-1-yl]butyric acid Formula: C22H19NO3 MolecularWeight: 345.39116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)C(C3=CC=C2)(CCCC(=O)O)CC4=CC=NC=C4

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)C(C3=CC=C2)(CCCC(=O)O)CC4=CC=NC=C4

InChI

InChI=1S/C22H19NO3/c24-19(25)8-3-11-22(14-15-9-12-23-13-10-15)18-7-2-5-16-4-1-6-17(20(16)18)21(22)26/h1-2,4-7,9-10,12-13H,3,8,11,14H2,(H,24,25)