(2S)-2-[(4-ethoxyphenyl)methyl-methyl-azaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[(4-ethoxyphenyl)methyl-methyl-azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[(4-ethoxyphenyl)methyl-methyl-ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[(4-ethoxyphenyl)methyl-methylammonio]-2-phenylacetate IUPAC Name: (2S)-2-[(4-ethoxyphenyl)methyl-methylazaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[(4-ethoxybenzyl)-methyl-ammonio]-2-phenyl-acetate Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H21NO3/c1-3-22-16-11-9-14(10-12-16)13-19(2)17(18(20)21)15-7-5-4-6-8-15/h4-12,17H,3,13H2,1-2H3,(H,20,21)/t17-/m0/s1