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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-3-iodanyl-aniline Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-3-iodo-aniline CAS Name: N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-3-iodoaniline IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-3-iodoaniline Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-(3-iodophenyl)amine Formula: C17H18INO2 MolecularWeight: 395.23479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18INO2/c1-12(19-15-4-2-3-14(18)10-15)5-6-13-7-8-16-17(9-13)21-11-20-16/h2-4,7-10,12,19H,5-6,11H2,1H3