4-[3-bromanyl-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid

Systemtic Name: 4-[3-bromanyl-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid Openeye Name: 4-[3-bromo-2-oxo-1-(4-pyridylmethyl)acenaphthylen-1-yl]butanoic acid CAS Name: 4-[3-bromo-2-oxo-1-(pyridin-4-ylmethyl)-1-acenaphthylenyl]butanoic acid IUPAC Name: 4-[3-bromo-2-oxo-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid Traditional Name: 4-[3-bromo-2-keto-1-(4-pyridylmethyl)acenaphthen-1-yl]butyric acid Formula: C22H18BrNO3 MolecularWeight: 424.28722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrNO3/c23-17-7-6-15-3-1-4-16-19(15)20(17)21(27)22(16,10-2-5-18(25)26)13-14-8-11-24-12-9-14/h1,3-4,6-9,11-12H,2,5,10,13H2,(H,25,26)