5-[4-methyl-2-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid

Systemtic Name: 5-[4-methyl-2-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid Openeye Name: 5-[4-methyl-2-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid CAS Name: 5-[4-methyl-2-[(2-methyl-1-oxopropyl)amino]phenyl]-2-furancarboxylic acid IUPAC Name: 5-[4-methyl-2-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid Traditional Name: 5-[2-(isobutyrylamino)-4-methyl-phenyl]-2-furoic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)O)NC(=O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)O)NC(=O)C(C)C

InChI

InChI=1S/C16H17NO4/c1-9(2)15(18)17-12-8-10(3)4-5-11(12)13-6-7-14(21-13)16(19)20/h4-9H,1-3H3,(H,17,18)(H,19,20)