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

Systemtic Name: 4-[3-cyano-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid Openeye Name: 4-[3-cyano-2-oxo-1-(4-pyridylmethyl)acenaphthylen-1-yl]butanoic acid CAS Name: 4-[3-cyano-2-oxo-1-(pyridin-4-ylmethyl)-1-acenaphthylenyl]butanoic acid IUPAC Name: 4-[3-cyano-2-oxo-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid Traditional Name: 4-[3-cyano-2-keto-1-(4-pyridylmethyl)acenaphthen-1-yl]butyric acid Formula: C23H18N2O3 MolecularWeight: 370.40062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O3/c24-14-17-7-6-16-3-1-4-18-20(16)21(17)22(28)23(18,10-2-5-19(26)27)13-15-8-11-25-12-9-15/h1,3-4,6-9,11-12H,2,5,10,13H2,(H,26,27)