N-[[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]-3-ethoxy-propan-1-amine

Systemtic Name: N-[[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]-3-ethoxy-propan-1-amine Openeye Name: N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]-3-ethoxy-propan-1-amine CAS Name: N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-ethoxy-1-propanamine IUPAC Name: N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-ethoxypropan-1-amine Traditional Name: [3-bromo-4-(2-chlorobenzyl)oxy-5-ethoxy-benzyl]-(3-ethoxypropyl)amine Formula: C21H27BrClNO3 MolecularWeight: 456.80098

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2Cl)OCC

Isomeric SMILES

CCOCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2Cl)OCC

InChI

InChI=1S/C21H27BrClNO3/c1-3-25-11-7-10-24-14-16-12-18(22)21(20(13-16)26-4-2)27-15-17-8-5-6-9-19(17)23/h5-6,8-9,12-13,24H,3-4,7,10-11,14-15H2,1-2H3