tert-butyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)pyrrolidine-1-carboxylate CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)pyrrolidine-1-carboxylate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5/c1-19(2,3)26-18(23)21-9-4-6-14(21)17(22)20-13-7-8-15-16(12-13)25-11-5-10-24-15/h7-8,12,14H,4-6,9-11H2,1-3H3,(H,20,22)