2-[(4-ethoxyphenyl)methylazaniumyl]-4-methyl-pentanoate

Systemtic Name: 2-[(4-ethoxyphenyl)methylazaniumyl]-4-methyl-pentanoate Openeye Name: 2-[(4-ethoxyphenyl)methylammonio]-4-methyl-pentanoate CAS Name: 2-[(4-ethoxyphenyl)methylammonio]-4-methylpentanoate IUPAC Name: 2-[(4-ethoxyphenyl)methylazaniumyl]-4-methylpentanoate Traditional Name: 2-[(4-ethoxybenzyl)ammonio]-4-methyl-valerate Formula: C15H23NO3 MolecularWeight: 265.34802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH2+]C(CC(C)C)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH2+]C(CC(C)C)C(=O)[O-]

InChI

InChI=1S/C15H23NO3/c1-4-19-13-7-5-12(6-8-13)10-16-14(15(17)18)9-11(2)3/h5-8,11,14,16H,4,9-10H2,1-3H3,(H,17,18)