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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methyl-[(3-cyanophenyl)methyl]amino]propanoic acid Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methyl-[(3-cyanophenyl)methyl]amino]propanoic acid CAS Name: 3-[(3-bromo-4-methoxyphenyl)methyl-[(3-cyanophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methyl-[(3-cyanophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)-(3-cyanobenzyl)amino]propionic acid Formula: C19H19BrN2O3 MolecularWeight: 403.26976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O3/c1-25-18-6-5-16(10-17(18)20)13-22(8-7-19(23)24)12-15-4-2-3-14(9-15)11-21/h2-6,9-10H,7-8,12-13H2,1H3,(H,23,24)