tert-butyl N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylphenyl]carbamate

Systemtic Name: tert-butyl N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylphenyl]carbamate Openeye Name: tert-butyl N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]carbamate CAS Name: N-[4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]carbamate Traditional Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]carbamic acid tert-butyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H30N2O5/c1-25(2,3)32-24(29)26-19-10-7-17(8-11-19)23(28)27-13-4-6-20(27)18-9-12-21-22(16-18)31-15-5-14-30-21/h7-12,16,20H,4-6,13-15H2,1-3H3,(H,26,29)