4-[(4-tert-butyl-2,6-dimethyl-phenyl)methylamino]butanoic acid

Systemtic Name: 4-[(4-tert-butyl-2,6-dimethyl-phenyl)methylamino]butanoic acid Openeye Name: 4-[(4-tert-butyl-2,6-dimethyl-phenyl)methylamino]butanoic acid CAS Name: 4-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]butanoic acid IUPAC Name: 4-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]butanoic acid Traditional Name: 4-[(4-tert-butyl-2,6-dimethyl-benzyl)amino]butyric acid Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CNCCCC(=O)O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CNCCCC(=O)O)C)C(C)(C)C

InChI

InChI=1S/C17H27NO2/c1-12-9-14(17(3,4)5)10-13(2)15(12)11-18-8-6-7-16(19)20/h9-10,18H,6-8,11H2,1-5H3,(H,19,20)