3-[(3-bromophenyl)methyl-[(4-methoxyphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(3-bromophenyl)methyl-[(4-methoxyphenyl)methyl]amino]propanoic acid Openeye Name: 3-[(3-bromophenyl)methyl-[(4-methoxyphenyl)methyl]amino]propanoic acid CAS Name: 3-[(3-bromophenyl)methyl-[(4-methoxyphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(3-bromophenyl)methyl-[(4-methoxyphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(3-bromobenzyl)-p-anisyl-amino]propionic acid Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CCC(=O)O)CC2=CC(=CC=C2)Br

Isomeric SMILES

COC1=CC=C(C=C1)CN(CCC(=O)O)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H20BrNO3/c1-23-17-7-5-14(6-8-17)12-20(10-9-18(21)22)13-15-3-2-4-16(19)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,22)