6-[(4-butylphenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(4-butylphenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(4-butylanilino)-6-oxo-hexanoic acid CAS Name: 6-(4-butylanilino)-6-oxohexanoic acid IUPAC Name: 6-(4-butylanilino)-6-oxohexanoic acid Traditional Name: 6-(4-butylanilino)-6-keto-hexanoic acid Formula: C16H23NO3 MolecularWeight: 277.35872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CCCCC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CCCCC(=O)O

InChI

InChI=1S/C16H23NO3/c1-2-3-6-13-9-11-14(12-10-13)17-15(18)7-4-5-8-16(19)20/h9-12H,2-8H2,1H3,(H,17,18)(H,19,20)