tert-butyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)azepan-1-yl]carbamate

Systemtic Name: tert-butyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)azepan-1-yl]carbamate Openeye Name: tert-butyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)azepan-1-yl]carbamate CAS Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)azepan-1-yl]carbamate Traditional Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)azepan-1-yl]carbamic acid tert-butyl ester Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN1CCCC(CC1)NCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)(C)OC(=O)NN1CCCC(CC1)NCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H31N3O4/c1-20(2,3)27-19(24)22-23-9-4-5-16(8-10-23)21-14-15-6-7-17-18(13-15)26-12-11-25-17/h6-7,13,16,21H,4-5,8-12,14H2,1-3H3,(H,22,24)