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

Systemtic Name: 3-[(4-butylphenyl)-methyl-amino]propanoic acid Openeye Name: 3-(4-butyl-N-methyl-anilino)propanoic acid CAS Name: 3-(4-butyl-N-methylanilino)propanoic acid IUPAC Name: 3-(4-butyl-N-methylanilino)propanoic acid Traditional Name: 3-(4-butyl-N-methyl-anilino)propionic acid Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(C)CCC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(C)CCC(=O)O

InChI

InChI=1S/C14H21NO2/c1-3-4-5-12-6-8-13(9-7-12)15(2)11-10-14(16)17/h6-9H,3-5,10-11H2,1-2H3,(H,16,17)