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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)octan-2-amine Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)octan-2-amine CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-octanamine IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)octan-2-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(1-methylheptyl)amine Formula: C18H29NO2 MolecularWeight: 291.42836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO2/c1-3-4-5-6-9-15(2)19-14-16-10-7-11-17-18(16)21-13-8-12-20-17/h7,10-11,15,19H,3-6,8-9,12-14H2,1-2H3