5-[3-(3-methylbutanoylamino)phenyl]furan-2-carboxylic acid

Systemtic Name: 5-[3-(3-methylbutanoylamino)phenyl]furan-2-carboxylic acid Openeye Name: 5-[3-(3-methylbutanoylamino)phenyl]furan-2-carboxylic acid CAS Name: 5-[3-[(3-methyl-1-oxobutyl)amino]phenyl]-2-furancarboxylic acid IUPAC Name: 5-[3-(3-methylbutanoylamino)phenyl]furan-2-carboxylic acid Traditional Name: 5-[3-(isovalerylamino)phenyl]-2-furoic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=CC(=C1)C2=CC=C(O2)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=CC(=C1)C2=CC=C(O2)C(=O)O

InChI

InChI=1S/C16H17NO4/c1-10(2)8-15(18)17-12-5-3-4-11(9-12)13-6-7-14(21-13)16(19)20/h3-7,9-10H,8H2,1-2H3,(H,17,18)(H,19,20)