tert-butyl (2R)-2-[(diphenylmethylidene)amino]-3-(2-fluoranyl-4,5-dimethoxy-phenyl)propanoate

Systemtic Name: tert-butyl (2R)-2-[(diphenylmethylidene)amino]-3-(2-fluoranyl-4,5-dimethoxy-phenyl)propanoate Openeye Name: tert-butyl (2R)-2-(benzhydrylideneamino)-3-(2-fluoranyl-4,5-dimethoxy-phenyl)propanoate CAS Name: (2R)-2-[(diphenylmethylene)amino]-3-(2-fluoranyl-4,5-dimethoxyphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-(benzhydrylideneamino)-3-(2-fluoranyl-4,5-dimethoxyphenyl)propanoate Traditional Name: (2R)-2-(benzhydrylideneamino)-3-(2-fluoranyl-4,5-dimethoxy-phenyl)propionic acid tert-butyl ester Formula: C28H30FNO4 MolecularWeight: 462.543038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC(=C(C=C1F)OC)OC)N=C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H](CC1=CC(=C(C=C1[18F])OC)OC)N=C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H30FNO4/c1-28(2,3)34-27(31)23(16-21-17-24(32-4)25(33-5)18-22(21)29)30-26(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17-18,23H,16H2,1-5H3/t23-/m1/s1/i29-1