3-azanyl-5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]benzoic acid

Systemtic Name: 3-azanyl-5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]benzoic acid Openeye Name: 3-amino-5-[2-[2-benzyloxy-5-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]benzoic acid CAS Name: 3-amino-5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]-1-cyclopenta-1,3-dienyl]benzoic acid IUPAC Name: 3-amino-5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]benzoic acid Traditional Name: 3-amino-5-[2-[2-benzoxy-5-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]benzoic acid Formula: C26H20F3NO3 MolecularWeight: 451.43711

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=C1C2=CC(=CC(=C2)N)C(=O)O)C3=C(C=CC(=C3)C(F)(F)F)OCC4=CC=CC=C4

Isomeric SMILES

C1C=CC(=C1C2=CC(=CC(=C2)N)C(=O)O)C3=C(C=CC(=C3)C(F)(F)F)OCC4=CC=CC=C4

InChI

InChI=1S/C26H20F3NO3/c27-26(28,29)19-9-10-24(33-15-16-5-2-1-3-6-16)23(14-19)22-8-4-7-21(22)17-11-18(25(31)32)13-20(30)12-17/h1-6,8-14H,7,15,30H2,(H,31,32)