3-(4-bromophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid

Systemtic Name: 3-(4-bromophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid Openeye Name: 3-(4-bromophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid CAS Name: 3-(4-bromophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid IUPAC Name: 3-(4-bromophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid Traditional Name: 3-(4-bromophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propionic acid Formula: C26H29BrN2O2 MolecularWeight: 481.42466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC(C(C2=CC=C(C=C2)Br)NCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCC(C(C2=CC=C(C=C2)Br)NCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H29BrN2O2/c27-23-13-11-22(12-14-23)25(29-18-16-21-9-5-2-6-10-21)24(26(30)31)19-28-17-15-20-7-3-1-4-8-20/h1-14,24-25,28-29H,15-19H2,(H,30,31)