N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-1-piperidin-4-yl-methanamine

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-1-piperidin-4-yl-methanamine Openeye Name: N-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]-1-(4-piperidyl)methanamine CAS Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-(4-piperidinyl)methanamine IUPAC Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-(4-piperidylmethyl)amine Formula: C21H27BrN2O2 MolecularWeight: 419.35528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC2CCNCC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC2CCNCC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27BrN2O2/c1-25-20-12-18(14-24-13-16-7-9-23-10-8-16)11-19(22)21(20)26-15-17-5-3-2-4-6-17/h2-6,11-12,16,23-24H,7-10,13-15H2,1H3