4-[4-chloranyl-6-methoxy-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid

Systemtic Name: 4-[4-chloranyl-6-methoxy-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid Openeye Name: 4-[4-chloro-6-methoxy-2-oxo-1-(4-pyridylmethyl)acenaphthylen-1-yl]butanoic acid CAS Name: 4-[4-chloro-6-methoxy-2-oxo-1-(pyridin-4-ylmethyl)-1-acenaphthylenyl]butanoic acid IUPAC Name: 4-[4-chloro-6-methoxy-2-oxo-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanoic acid Traditional Name: 4-[4-chloro-2-keto-6-methoxy-1-(4-pyridylmethyl)acenaphthen-1-yl]butyric acid Formula: C23H20ClNO4 MolecularWeight: 409.8622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(C=C3C2=C(C=C1)C(C3=O)(CCCC(=O)O)CC4=CC=NC=C4)Cl

Isomeric SMILES

COC1=C2C=C(C=C3C2=C(C=C1)C(C3=O)(CCCC(=O)O)CC4=CC=NC=C4)Cl

InChI

InChI=1S/C23H20ClNO4/c1-29-19-5-4-18-21-16(19)11-15(24)12-17(21)22(28)23(18,8-2-3-20(26)27)13-14-6-9-25-10-7-14/h4-7,9-12H,2-3,8,13H2,1H3,(H,26,27)