3-[(4-acetamidophenyl)methyl-[(3-bromanyl-4-methoxy-phenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4-acetamidophenyl)methyl-[(3-bromanyl-4-methoxy-phenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-acetamidophenyl)methyl-[(3-bromo-4-methoxy-phenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-acetamidophenyl)methyl-[(3-bromo-4-methoxyphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-acetamidophenyl)methyl-[(3-bromo-4-methoxyphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-acetamidobenzyl)-(3-bromo-4-methoxy-benzyl)amino]propionic acid Formula: C20H23BrN2O4 MolecularWeight: 435.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN(CCC(=O)O)CC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN(CCC(=O)O)CC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C20H23BrN2O4/c1-14(24)22-17-6-3-15(4-7-17)12-23(10-9-20(25)26)13-16-5-8-19(27-2)18(21)11-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24)(H,25,26)