5-methyl-4-[[(phenylmethyl)-propan-2-yl-amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-methyl-4-[[(phenylmethyl)-propan-2-yl-amino]methyl]furan-2-carboxylic acid Openeye Name: 4-[[benzyl(isopropyl)amino]methyl]-5-methyl-furan-2-carboxylic acid CAS Name: 5-methyl-4-[[(phenylmethyl)-propan-2-ylamino]methyl]-2-furancarboxylic acid IUPAC Name: 4-[[benzyl(propan-2-yl)amino]methyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[[benzyl(isopropyl)amino]methyl]-5-methyl-2-furoic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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