6-[(3-methylphenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(3-methylphenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(3-methylanilino)-6-oxo-hexanoic acid CAS Name: 6-(3-methylanilino)-6-oxohexanoic acid IUPAC Name: 6-(3-methylanilino)-6-oxohexanoic acid Traditional Name: 6-keto-6-(m-toluidino)hexanoic acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCCC(=O)O

InChI

InChI=1S/C13H17NO3/c1-10-5-4-6-11(9-10)14-12(15)7-2-3-8-13(16)17/h4-6,9H,2-3,7-8H2,1H3,(H,14,15)(H,16,17)