N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine

Systemtic Name: N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine Openeye Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine CAS Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxy-1-cyclohexa-1,4-dienyl)ethanamine IUPAC Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]amine Formula: C17H20BrNO3 MolecularWeight: 366.2496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CCC(=CC1)CCNCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

COC1=CCC(=CC1)CCNCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C17H20BrNO3/c1-20-14-4-2-12(3-5-14)6-7-19-10-13-8-16-17(9-15(13)18)22-11-21-16/h2,5,8-9,19H,3-4,6-7,10-11H2,1H3