tert-butyl 1-[3-cyclopropyl-6-fluoranyl-2-[2-oxidanylidene-2-(phenylmethoxyamino)ethyl]benzimidazol-5-yl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[3-cyclopropyl-6-fluoranyl-2-[2-oxidanylidene-2-(phenylmethoxyamino)ethyl]benzimidazol-5-yl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-[2-(benzyloxyamino)-2-oxo-ethyl]-3-cyclopropyl-6-fluoro-benzimidazol-5-yl]pyrrolidine-2-carboxylate CAS Name: 1-[3-cyclopropyl-6-fluoro-2-[2-oxo-2-(phenylmethoxyamino)ethyl]-5-benzimidazolyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-cyclopropyl-6-fluoro-2-[2-oxo-2-(phenylmethoxyamino)ethyl]benzimidazol-5-yl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[2-(benzoxyamino)-2-keto-ethyl]-3-cyclopropyl-6-fluoro-benzimidazol-5-yl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C28H33FN4O4 MolecularWeight: 508.584423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C2=C(C=C3C(=C2)N(C(=N3)CC(=O)NOCC4=CC=CC=C4)C5CC5)F

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C2=C(C=C3C(=C2)N(C(=N3)CC(=O)NOCC4=CC=CC=C4)C5CC5)F

InChI

InChI=1S/C28H33FN4O4/c1-28(2,3)37-27(35)22-10-7-13-32(22)23-15-24-21(14-20(23)29)30-25(33(24)19-11-12-19)16-26(34)31-36-17-18-8-5-4-6-9-18/h4-6,8-9,14-15,19,22H,7,10-13,16-17H2,1-3H3,(H,31,34)