4-[2-[(phenylmethyl)-propan-2-yl-azaniumyl]ethoxy]benzoate

Systemtic Name: 4-[2-[(phenylmethyl)-propan-2-yl-azaniumyl]ethoxy]benzoate Openeye Name: 4-[2-[benzyl(isopropyl)ammonio]ethoxy]benzoate CAS Name: 4-[2-[(phenylmethyl)-propan-2-ylammonio]ethoxy]benzoate IUPAC Name: 4-[2-[benzyl(propan-2-yl)azaniumyl]ethoxy]benzoate Traditional Name: 4-[2-[benzyl(isopropyl)ammonio]ethoxy]benzoate Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCOC1=CC=C(C=C1)C(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC(C)[NH+](CCOC1=CC=C(C=C1)C(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C19H23NO3/c1-15(2)20(14-16-6-4-3-5-7-16)12-13-23-18-10-8-17(9-11-18)19(21)22/h3-11,15H,12-14H2,1-2H3,(H,21,22)