O1-tert-butyl O2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 2-O-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H28N2O7/c1-21(2,3)30-20(26)23-9-4-6-15(23)19(25)29-13-18(24)22-14-7-8-16-17(12-14)28-11-5-10-27-16/h7-8,12,15H,4-6,9-11,13H2,1-3H3,(H,22,24)/t15-/m0/s1