2-azanyl-4-[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)carbonyl]-3-fluoranyl-benzoic acid

Systemtic Name: 2-azanyl-4-[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)carbonyl]-3-fluoranyl-benzoic acid Openeye Name: 2-amino-4-(5,5-dimethyl-8-phenyl-6H-naphthalene-2-carbonyl)-3-fluoro-benzoic acid CAS Name: 2-amino-4-[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)-oxomethyl]-3-fluorobenzoic acid IUPAC Name: 2-amino-4-(5,5-dimethyl-8-phenyl-6H-naphthalene-2-carbonyl)-3-fluorobenzoic acid Traditional Name: 2-amino-4-(5,5-dimethyl-8-phenyl-6H-naphthalene-2-carbonyl)-3-fluoro-benzoic acid Formula: C26H22FNO3 MolecularWeight: 415.456183

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C(=O)C3=C(C(=C(C=C3)C(=O)O)N)F)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C(=O)C3=C(C(=C(C=C3)C(=O)O)N)F)C4=CC=CC=C4)C

InChI

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