3-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[(4-tert-butylbenzyl)amino]methyl]phenyl]propionic acid Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNCC2=CC=CC(=C2)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNCC2=CC=CC(=C2)CCC(=O)O

InChI

InChI=1S/C21H27NO2/c1-21(2,3)19-10-7-17(8-11-19)14-22-15-18-6-4-5-16(13-18)9-12-20(23)24/h4-8,10-11,13,22H,9,12,14-15H2,1-3H3,(H,23,24)