2-[bis(phenylmethyl)amino]-3-(4-fluoranyl-2-nitro-phenoxy)-3-methyl-butanoic acid

Systemtic Name: 2-[bis(phenylmethyl)amino]-3-(4-fluoranyl-2-nitro-phenoxy)-3-methyl-butanoic acid Openeye Name: 2-(dibenzylamino)-3-(4-fluoro-2-nitro-phenoxy)-3-methyl-butanoic acid CAS Name: 2-[bis(phenylmethyl)amino]-3-(4-fluoro-2-nitrophenoxy)-3-methylbutanoic acid IUPAC Name: 2-(dibenzylamino)-3-(4-fluoro-2-nitrophenoxy)-3-methylbutanoic acid Traditional Name: 2-(dibenzylamino)-3-(4-fluoro-2-nitro-phenoxy)-3-methyl-butyric acid Formula: C25H25FN2O5 MolecularWeight: 452.474803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(C(=O)O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C25H25FN2O5/c1-25(2,33-22-14-13-20(26)15-21(22)28(31)32)23(24(29)30)27(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15,23H,16-17H2,1-2H3,(H,29,30)