ethyl 4-[3-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[3-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[3-[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[(5-bromo-2-methoxy-benzyl)-methyl-amino]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C21H26BrNO5 MolecularWeight: 452.33884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CN(C)CC2=C(C=CC(=C2)Br)OC)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(CN(C)CC2=C(C=CC(=C2)Br)OC)O

InChI

InChI=1S/C21H26BrNO5/c1-4-27-21(25)15-5-8-19(9-6-15)28-14-18(24)13-23(2)12-16-11-17(22)7-10-20(16)26-3/h5-11,18,24H,4,12-14H2,1-3H3