2-[[3-(5-chloranyl-6-oxidanyl-naphthalen-2-yl)-2-methyl-propanoyl]amino]-6-fluoranyl-benzoic acid

Systemtic Name: 2-[[3-(5-chloranyl-6-oxidanyl-naphthalen-2-yl)-2-methyl-propanoyl]amino]-6-fluoranyl-benzoic acid Openeye Name: 2-[[3-(5-chloro-6-hydroxy-2-naphthyl)-2-methyl-propanoyl]amino]-6-fluoro-benzoic acid CAS Name: 2-[[3-(5-chloro-6-hydroxy-2-naphthalenyl)-2-methyl-1-oxopropyl]amino]-6-fluorobenzoic acid IUPAC Name: 2-[[3-(5-chloro-6-hydroxynaphthalen-2-yl)-2-methylpropanoyl]amino]-6-fluorobenzoic acid Traditional Name: 2-[[3-(5-chloro-6-hydroxy-2-naphthyl)-2-methyl-propanoyl]amino]-6-fluoro-benzoic acid Formula: C21H17ClFNO4 MolecularWeight: 401.815383

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)C(=C(C=C2)O)Cl)C(=O)NC3=C(C(=CC=C3)F)C(=O)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)C(=C(C=C2)O)Cl)C(=O)NC3=C(C(=CC=C3)F)C(=O)O

InChI

InChI=1S/C21H17ClFNO4/c1-11(20(26)24-16-4-2-3-15(23)18(16)21(27)28)9-12-5-7-14-13(10-12)6-8-17(25)19(14)22/h2-8,10-11,25H,9H2,1H3,(H,24,26)(H,27,28)