4-oxidanylidene-2-(pentylamino)-4-[[3-(trifluoromethyl)phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-2-(pentylamino)-4-[[3-(trifluoromethyl)phenyl]amino]butanoic acid Openeye Name: 4-oxo-2-(pentylamino)-4-[3-(trifluoromethyl)anilino]butanoic acid CAS Name: 4-oxo-2-(pentylamino)-4-[3-(trifluoromethyl)anilino]butanoic acid IUPAC Name: 4-oxo-2-(pentylamino)-4-[3-(trifluoromethyl)anilino]butanoic acid Traditional Name: 2-(amylamino)-4-keto-4-[3-(trifluoromethyl)anilino]butyric acid Formula: C16H21F3N2O3 MolecularWeight: 346.34475

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(CC(=O)NC1=CC=CC(=C1)C(F)(F)F)C(=O)O

Isomeric SMILES

CCCCCNC(CC(=O)NC1=CC=CC(=C1)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H21F3N2O3/c1-2-3-4-8-20-13(15(23)24)10-14(22)21-12-7-5-6-11(9-12)16(17,18)19/h5-7,9,13,20H,2-4,8,10H2,1H3,(H,21,22)(H,23,24)