2-methyl-5-[[(phenylmethyl)-propan-2-yl-amino]methyl]furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-[[(phenylmethyl)-propan-2-yl-amino]methyl]furan-3-carboxylic acid Openeye Name: 5-[[benzyl(isopropyl)amino]methyl]-2-methyl-furan-3-carboxylic acid CAS Name: 2-methyl-5-[[(phenylmethyl)-propan-2-ylamino]methyl]-3-furancarboxylic acid IUPAC Name: 5-[[benzyl(propan-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[[benzyl(isopropyl)amino]methyl]-2-methyl-3-furoic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN(CC2=CC=CC=C2)C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CN(CC2=CC=CC=C2)C(C)C)C(=O)O

InChI

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