3-[2-[[2-(3-azanyl-3-chloranyl-propyl)-3-butyl-phenyl]methyl]-6-butyl-phenyl]-1-chloranyl-propan-1-amine

Systemtic Name: 3-[2-[[2-(3-azanyl-3-chloranyl-propyl)-3-butyl-phenyl]methyl]-6-butyl-phenyl]-1-chloranyl-propan-1-amine Openeye Name: 3-[2-[[2-(3-amino-3-chloro-propyl)-3-butyl-phenyl]methyl]-6-butyl-phenyl]-1-chloro-propan-1-amine CAS Name: 3-[2-[[2-(3-amino-3-chloropropyl)-3-butylphenyl]methyl]-6-butylphenyl]-1-chloro-1-propanamine IUPAC Name: 3-[2-[[2-(3-amino-3-chloropropyl)-3-butylphenyl]methyl]-6-butylphenyl]-1-chloropropan-1-amine Traditional Name: [3-[2-[2-(3-amino-3-chloro-propyl)-3-butyl-benzyl]-6-butyl-phenyl]-1-chloro-propyl]amine Formula: C27H40Cl2N2 MolecularWeight: 463.5259

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1CCC(N)Cl)CC2=C(C(=CC=C2)CCCC)CCC(N)Cl

Isomeric SMILES

CCCCC1=CC=CC(=C1CCC(N)Cl)CC2=C(C(=CC=C2)CCCC)CCC(N)Cl

InChI

InChI=1S/C27H40Cl2N2/c1-3-5-9-20-11-7-13-22(24(20)15-17-26(28)30)19-23-14-8-12-21(10-6-4-2)25(23)16-18-27(29)31/h7-8,11-14,26-27H,3-6,9-10,15-19,30-31H2,1-2H3