N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2,4,4-trimethyl-pentan-2-amine

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2,4,4-trimethyl-pentan-2-amine Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2,4,4-trimethyl-pentan-2-amine CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2,4,4-trimethyl-2-pentanamine IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2,4,4-trimethylpentan-2-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(1,1,3,3-tetramethylbutyl)amine Formula: C18H29NO2 MolecularWeight: 291.42836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NCC1=C2C(=CC=C1)OCCCO2

Isomeric SMILES

CC(C)(C)CC(C)(C)NCC1=C2C(=CC=C1)OCCCO2

InChI

InChI=1S/C18H29NO2/c1-17(2,3)13-18(4,5)19-12-14-8-6-9-15-16(14)21-11-7-10-20-15/h6,8-9,19H,7,10-13H2,1-5H3