2-[cyclohexyl-[(3-ethoxyphenyl)methyl]azaniumyl]ethanoate

Systemtic Name: 2-[cyclohexyl-[(3-ethoxyphenyl)methyl]azaniumyl]ethanoate Openeye Name: 2-[cyclohexyl-[(3-ethoxyphenyl)methyl]ammonio]acetate CAS Name: 2-[cyclohexyl-[(3-ethoxyphenyl)methyl]ammonio]acetate IUPAC Name: 2-[cyclohexyl-[(3-ethoxyphenyl)methyl]azaniumyl]acetate Traditional Name: 2-[cyclohexyl-(3-ethoxybenzyl)ammonio]acetate Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C[NH+](CC(=O)[O-])C2CCCCC2

Isomeric SMILES

CCOC1=CC=CC(=C1)C[NH+](CC(=O)[O-])C2CCCCC2

InChI

InChI=1S/C17H25NO3/c1-2-21-16-10-6-7-14(11-16)12-18(13-17(19)20)15-8-4-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12-13H2,1H3,(H,19,20)