N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-3-chloranyl-aniline

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-3-chloranyl-aniline Openeye Name: N-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]-3-chloro-aniline CAS Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-chloroaniline IUPAC Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-chloroaniline Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-(3-chlorophenyl)amine Formula: C21H19BrClNO2 MolecularWeight: 432.73806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=CC(=CC=C2)Cl)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=CC(=CC=C2)Cl)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H19BrClNO2/c1-25-20-11-16(13-24-18-9-5-8-17(23)12-18)10-19(22)21(20)26-14-15-6-3-2-4-7-15/h2-12,24H,13-14H2,1H3