tert-butyl 1-[2-[(3-benzamido-2-oxidanylidene-4-phenyl-butyl)-methyl-amino]ethanoyl]-4-(4-fluoranylphenoxy)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-[(3-benzamido-2-oxidanylidene-4-phenyl-butyl)-methyl-amino]ethanoyl]-4-(4-fluoranylphenoxy)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-[(3-benzamido-2-oxo-4-phenyl-butyl)-methyl-amino]acetyl]-4-(4-fluorophenoxy)pyrrolidine-2-carboxylate CAS Name: 1-[2-[(3-benzamido-2-oxo-4-phenylbutyl)-methylamino]-1-oxoethyl]-4-(4-fluorophenoxy)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-[(3-benzamido-2-oxo-4-phenylbutyl)-methylamino]acetyl]-4-(4-fluorophenoxy)pyrrolidine-2-carboxylate Traditional Name: 1-[2-[(3-benzamido-2-keto-4-phenyl-butyl)-methyl-amino]acetyl]-4-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C35H40FN3O6 MolecularWeight: 617.707003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(CN1C(=O)CN(C)CC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)OC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)C1CC(CN1C(=O)CN(C)CC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C35H40FN3O6/c1-35(2,3)45-34(43)30-20-28(44-27-17-15-26(36)16-18-27)21-39(30)32(41)23-38(4)22-31(40)29(19-24-11-7-5-8-12-24)37-33(42)25-13-9-6-10-14-25/h5-18,28-30H,19-23H2,1-4H3,(H,37,42)