3-chloranyl-N-[(3-ethoxy-5-iodanyl-4-propoxy-phenyl)methyl]aniline

Systemtic Name: 3-chloranyl-N-[(3-ethoxy-5-iodanyl-4-propoxy-phenyl)methyl]aniline Openeye Name: 3-chloro-N-[(3-ethoxy-5-iodo-4-propoxy-phenyl)methyl]aniline CAS Name: 3-chloro-N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methyl]aniline IUPAC Name: 3-chloro-N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methyl]aniline Traditional Name: (3-chlorophenyl)-(3-ethoxy-5-iodo-4-propoxy-benzyl)amine Formula: C18H21ClINO2 MolecularWeight: 445.72231

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1I)CNC2=CC(=CC=C2)Cl)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1I)CNC2=CC(=CC=C2)Cl)OCC

InChI

InChI=1S/C18H21ClINO2/c1-3-8-23-18-16(20)9-13(10-17(18)22-4-2)12-21-15-7-5-6-14(19)11-15/h5-7,9-11,21H,3-4,8,12H2,1-2H3