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

Systemtic Name: (2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]-3-phenyl-propanoate Openeye Name: (2R)-2-[(4-isopropylphenyl)methyl-methyl-ammonio]-3-phenyl-propanoate CAS Name: (2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]ammonio]-3-phenylpropanoate IUPAC Name: (2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]-3-phenylpropanoate Traditional Name: (2R)-2-[(4-isopropylbenzyl)-methyl-ammonio]-3-phenyl-propionate Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO2/c1-15(2)18-11-9-17(10-12-18)14-21(3)19(20(22)23)13-16-7-5-4-6-8-16/h4-12,15,19H,13-14H2,1-3H3,(H,22,23)/t19-/m1/s1