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

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-3-methyl-aniline Openeye Name: N-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]-3-methyl-aniline CAS Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylaniline IUPAC Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylaniline Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-(m-tolyl)amine Formula: C22H22BrNO2 MolecularWeight: 412.31958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H22BrNO2/c1-16-7-6-10-19(11-16)24-14-18-12-20(23)22(21(13-18)25-2)26-15-17-8-4-3-5-9-17/h3-13,24H,14-15H2,1-2H3