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

Systemtic Name: 3-(2-azanyl-4-fluoranyl-phenoxy)-2-[bis(phenylmethyl)amino]-3-methyl-butanoic acid Openeye Name: 3-(2-amino-4-fluoro-phenoxy)-2-(dibenzylamino)-3-methyl-butanoic acid CAS Name: 3-(2-amino-4-fluorophenoxy)-2-[bis(phenylmethyl)amino]-3-methylbutanoic acid IUPAC Name: 3-(2-amino-4-fluorophenoxy)-2-(dibenzylamino)-3-methylbutanoic acid Traditional Name: 3-(2-amino-4-fluoro-phenoxy)-2-(dibenzylamino)-3-methyl-butyric acid Formula: C25H27FN2O3 MolecularWeight: 422.491883

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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

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

InChI

InChI=1S/C25H27FN2O3/c1-25(2,31-22-14-13-20(26)15-21(22)27)23(24(29)30)28(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15,23H,16-17,27H2,1-2H3,(H,29,30)