3-[(4-tert-butylphenyl)methyl-(cyclohexylmethyl)amino]propanoic acid

Systemtic Name: 3-[(4-tert-butylphenyl)methyl-(cyclohexylmethyl)amino]propanoic acid Openeye Name: 3-[(4-tert-butylphenyl)methyl-(cyclohexylmethyl)amino]propanoic acid CAS Name: 3-[(4-tert-butylphenyl)methyl-(cyclohexylmethyl)amino]propanoic acid IUPAC Name: 3-[(4-tert-butylphenyl)methyl-(cyclohexylmethyl)amino]propanoic acid Traditional Name: 3-[(4-tert-butylbenzyl)-(cyclohexylmethyl)amino]propionic acid Formula: C21H33NO2 MolecularWeight: 331.49222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CCC(=O)O)CC2CCCCC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CCC(=O)O)CC2CCCCC2

InChI

InChI=1S/C21H33NO2/c1-21(2,3)19-11-9-18(10-12-19)16-22(14-13-20(23)24)15-17-7-5-4-6-8-17/h9-12,17H,4-8,13-16H2,1-3H3,(H,23,24)