2-[phenethyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]ethanoate

Systemtic Name: 2-[phenethyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]ethanoate Openeye Name: 2-[(4-isopropylphenyl)methyl-phenethyl-ammonio]acetate CAS Name: 2-[phenethyl-[(4-propan-2-ylphenyl)methyl]ammonio]acetate IUPAC Name: 2-[phenethyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]acetate Traditional Name: 2-[(4-isopropylbenzyl)-phenethyl-ammonio]acetate Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](CCC2=CC=CC=C2)CC(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](CCC2=CC=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C20H25NO2/c1-16(2)19-10-8-18(9-11-19)14-21(15-20(22)23)13-12-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,22,23)