2-[(5-butyl-2-oxidanyl-phenyl)methyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[(5-butyl-2-oxidanyl-phenyl)methyl-methyl-amino]ethanoic acid Openeye Name: 2-[(5-butyl-2-hydroxy-phenyl)methyl-methyl-amino]acetic acid CAS Name: 2-[(5-butyl-2-hydroxyphenyl)methyl-methylamino]acetic acid IUPAC Name: 2-[(5-butyl-2-hydroxyphenyl)methyl-methylamino]acetic acid Traditional Name: 2-[(5-butyl-2-hydroxy-benzyl)-methyl-amino]acetic acid Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)O)CN(C)CC(=O)O

Isomeric SMILES

CCCCC1=CC(=C(C=C1)O)CN(C)CC(=O)O

InChI

InChI=1S/C14H21NO3/c1-3-4-5-11-6-7-13(16)12(8-11)9-15(2)10-14(17)18/h6-8,16H,3-5,9-10H2,1-2H3,(H,17,18)