3-[(4-tert-butylphenyl)methyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4-tert-butylphenyl)methyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-benzyloxy-3-methoxy-phenyl)methyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-tert-butylphenyl)methyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-tert-butylphenyl)methyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-benzoxy-3-methoxy-benzyl)-(4-tert-butylbenzyl)amino]propionic acid Formula: C29H35NO4 MolecularWeight: 461.5925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CCC(=O)O)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CCC(=O)O)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C29H35NO4/c1-29(2,3)25-13-10-22(11-14-25)19-30(17-16-28(31)32)20-24-12-15-26(27(18-24)33-4)34-21-23-8-6-5-7-9-23/h5-15,18H,16-17,19-21H2,1-4H3,(H,31,32)