5-[[(2-methylphenyl)methyl-propan-2-yl-amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(2-methylphenyl)methyl-propan-2-yl-amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[[isopropyl(o-tolylmethyl)amino]methyl]furan-2-carboxylic acid CAS Name: 5-[[(2-methylphenyl)methyl-propan-2-ylamino]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[(2-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxylic acid Traditional Name: 5-[[isopropyl-(2-methylbenzyl)amino]methyl]-2-furoic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2=CC=C(O2)C(=O)O)C(C)C

Isomeric SMILES

CC1=CC=CC=C1CN(CC2=CC=C(O2)C(=O)O)C(C)C

InChI

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