5-[[tert-butyl-(phenylmethyl)azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[tert-butyl-(phenylmethyl)azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[benzyl(tert-butyl)ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[tert-butyl-(phenylmethyl)ammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[benzyl(tert-butyl)azaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[benzyl(tert-butyl)ammonio]methyl]-2-furoate Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+](CC1=CC=CC=C1)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)[NH+](CC1=CC=CC=C1)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C17H21NO3/c1-17(2,3)18(11-13-7-5-4-6-8-13)12-14-9-10-15(21-14)16(19)20/h4-10H,11-12H2,1-3H3,(H,19,20)