N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-4-bromanyl-aniline

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-4-bromanyl-aniline Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-4-bromo-aniline CAS Name: N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-4-bromoaniline IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-4-bromoaniline Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-(4-bromophenyl)amine Formula: C17H18BrNO2 MolecularWeight: 348.23432

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H18BrNO2/c1-12(19-15-7-5-14(18)6-8-15)2-3-13-4-9-16-17(10-13)21-11-20-16/h4-10,12,19H,2-3,11H2,1H3