N-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]heptan-1-amine

Systemtic Name: N-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]heptan-1-amine Openeye Name: N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]heptan-1-amine CAS Name: N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-heptanamine IUPAC Name: N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]heptan-1-amine Traditional Name: [3-bromo-4-(4-chlorobenzyl)oxy-5-methoxy-benzyl]-heptyl-amine Formula: C22H29BrClNO2 MolecularWeight: 454.82816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)Cl)OC

Isomeric SMILES

CCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C22H29BrClNO2/c1-3-4-5-6-7-12-25-15-18-13-20(23)22(21(14-18)26-2)27-16-17-8-10-19(24)11-9-17/h8-11,13-14,25H,3-7,12,15-16H2,1-2H3