3-[(3-bromanyl-4-methoxy-phenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid CAS Name: 3-[(3-bromo-4-methoxyphenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)-(2,4,6-trimethylbenzyl)amino]propionic acid Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CN(CCC(=O)O)CC2=CC(=C(C=C2)OC)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CN(CCC(=O)O)CC2=CC(=C(C=C2)OC)Br)C

InChI

InChI=1S/C21H26BrNO3/c1-14-9-15(2)18(16(3)10-14)13-23(8-7-21(24)25)12-17-5-6-20(26-4)19(22)11-17/h5-6,9-11H,7-8,12-13H2,1-4H3,(H,24,25)