3-[[3-(4-tert-butylphenoxy)phenyl]methyl-[(3-methylphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[[3-(4-tert-butylphenoxy)phenyl]methyl-[(3-methylphenyl)methyl]amino]propanoic acid Openeye Name: 3-[[3-(4-tert-butylphenoxy)phenyl]methyl-(m-tolylmethyl)amino]propanoic acid CAS Name: 3-[[3-(4-tert-butylphenoxy)phenyl]methyl-[(3-methylphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[[3-(4-tert-butylphenoxy)phenyl]methyl-[(3-methylphenyl)methyl]amino]propanoic acid Traditional Name: 3-[[3-(4-tert-butylphenoxy)benzyl]-(3-methylbenzyl)amino]propionic acid Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(CCC(=O)O)CC2=CC(=CC=C2)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN(CCC(=O)O)CC2=CC(=CC=C2)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H33NO3/c1-21-7-5-8-22(17-21)19-29(16-15-27(30)31)20-23-9-6-10-26(18-23)32-25-13-11-24(12-14-25)28(2,3)4/h5-14,17-18H,15-16,19-20H2,1-4H3,(H,30,31)