4-[(2-ethoxyphenyl)methyl-methyl-azaniumyl]butanoate

Systemtic Name: 4-[(2-ethoxyphenyl)methyl-methyl-azaniumyl]butanoate Openeye Name: 4-[(2-ethoxyphenyl)methyl-methyl-ammonio]butanoate CAS Name: 4-[(2-ethoxyphenyl)methyl-methylammonio]butanoate IUPAC Name: 4-[(2-ethoxyphenyl)methyl-methylazaniumyl]butanoate Traditional Name: 4-[(2-ethoxybenzyl)-methyl-ammonio]butyrate Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+](C)CCCC(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+](C)CCCC(=O)[O-]

InChI

InChI=1S/C14H21NO3/c1-3-18-13-8-5-4-7-12(13)11-15(2)10-6-9-14(16)17/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,17)