(2R)-2-[(4-ethylphenyl)methyl-methyl-azaniumyl]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[(4-ethylphenyl)methyl-methyl-azaniumyl]-3-phenyl-propanoate Openeye Name: (2R)-2-[(4-ethylphenyl)methyl-methyl-ammonio]-3-phenyl-propanoate CAS Name: (2R)-2-[(4-ethylphenyl)methyl-methylammonio]-3-phenylpropanoate IUPAC Name: (2R)-2-[(4-ethylphenyl)methyl-methylazaniumyl]-3-phenylpropanoate Traditional Name: (2R)-2-[(4-ethylbenzyl)-methyl-ammonio]-3-phenyl-propionate Formula: C19H23NO2 MolecularWeight: 297.39142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](C)C(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](C)[C@H](CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C19H23NO2/c1-3-15-9-11-17(12-10-15)14-20(2)18(19(21)22)13-16-7-5-4-6-8-16/h4-12,18H,3,13-14H2,1-2H3,(H,21,22)/t18-/m1/s1