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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-4-chloranyl-aniline Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-4-chloro-aniline CAS Name: N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-4-chloroaniline IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-4-chloroaniline Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-(4-chlorophenyl)amine Formula: C17H18ClNO2 MolecularWeight: 303.78332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO2/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