2-[[(phenylmethyl)-propan-2-yl-azaniumyl]methoxy]benzoate

Systemtic Name: 2-[[(phenylmethyl)-propan-2-yl-azaniumyl]methoxy]benzoate Openeye Name: 2-[[benzyl(isopropyl)ammonio]methoxy]benzoate CAS Name: 2-[[(phenylmethyl)-propan-2-ylammonio]methoxy]benzoate IUPAC Name: 2-[[benzyl(propan-2-yl)azaniumyl]methoxy]benzoate Traditional Name: 2-[[benzyl(isopropyl)ammonio]methoxy]benzoate Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)COC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)COC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C18H21NO3/c1-14(2)19(12-15-8-4-3-5-9-15)13-22-17-11-7-6-10-16(17)18(20)21/h3-11,14H,12-13H2,1-2H3,(H,20,21)