tert-butyl N-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-4-oxidanylidene-butyl]carbamate

Systemtic Name: tert-butyl N-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-4-oxo-butyl]carbamate CAS Name: N-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-4-oxobutyl]carbamate Traditional Name: N-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-4-keto-butyl]carbamic acid tert-butyl ester Formula: C19H27ClN2O5 MolecularWeight: 398.88108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)NCC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)NCC1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C19H27ClN2O5/c1-19(2,3)27-18(24)21-7-4-6-16(23)22-12-13-10-14(20)17-15(11-13)25-8-5-9-26-17/h10-11H,4-9,12H2,1-3H3,(H,21,24)(H,22,23)