4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]carbonylamino]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]carbonylamino]-2-fluoranyl-benzoic acid Openeye Name: 4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)naphthalene-2-carbonyl]amino]-2-fluoro-benzoic acid CAS Name: 4-[[[1-(5,5-dimethyl-1-cyclohexa-1,3-dienyl)-2-naphthalenyl]-oxomethyl]amino]-2-fluorobenzoic acid IUPAC Name: 4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)naphthalene-2-carbonyl]amino]-2-fluorobenzoic acid Traditional Name: 4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-2-naphthoyl]amino]-2-fluoro-benzoic acid Formula: C26H22FNO3 MolecularWeight: 415.456183

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC=C1)C2=C(C=CC3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4)C(=O)O)F)C

Isomeric SMILES

CC1(CC(=CC=C1)C2=C(C=CC3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4)C(=O)O)F)C

InChI

InChI=1S/C26H22FNO3/c1-26(2)13-5-7-17(15-26)23-19-8-4-3-6-16(19)9-11-21(23)24(29)28-18-10-12-20(25(30)31)22(27)14-18/h3-14H,15H2,1-2H3,(H,28,29)(H,30,31)