4-[5-methyl-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid

Systemtic Name: 4-[5-methyl-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid Openeye Name: 4-[5-methyl-2-oxo-1-(4-pyridylmethyl)acenaphthylen-1-yl]butanoic acid CAS Name: 4-[5-methyl-2-oxo-1-(pyridin-4-ylmethyl)-1-acenaphthylenyl]butanoic acid IUPAC Name: 4-[5-methyl-2-oxo-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid Traditional Name: 4-[2-keto-5-methyl-1-(4-pyridylmethyl)acenaphthen-1-yl]butyric acid Formula: C23H21NO3 MolecularWeight: 359.41774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=C3C2=C(C=C1)C(=O)C3(CCCC(=O)O)CC4=CC=NC=C4

Isomeric SMILES

CC1=C2C=CC=C3C2=C(C=C1)C(=O)C3(CCCC(=O)O)CC4=CC=NC=C4

InChI

InChI=1S/C23H21NO3/c1-15-7-8-18-21-17(15)4-2-5-19(21)23(22(18)27,11-3-6-20(25)26)14-16-9-12-24-13-10-16/h2,4-5,7-10,12-13H,3,6,11,14H2,1H3,(H,25,26)