3-[(2-butanoyl-3-oxidanylidene-hex-1-enyl)-ethyl-amino]-2-chloranyl-benzoic acid

Systemtic Name: 3-[(2-butanoyl-3-oxidanylidene-hex-1-enyl)-ethyl-amino]-2-chloranyl-benzoic acid Openeye Name: 3-[(2-butanoyl-3-oxo-hex-1-enyl)-ethyl-amino]-2-chloro-benzoic acid CAS Name: 2-chloro-3-[ethyl-[3-oxo-2-(1-oxobutyl)hex-1-enyl]amino]benzoic acid IUPAC Name: 3-[(2-butanoyl-3-oxohex-1-enyl)-ethylamino]-2-chlorobenzoic acid Traditional Name: 3-[(2-butyryl-3-keto-hex-1-enyl)-ethyl-amino]-2-chloro-benzoic acid Formula: C19H24ClNO4 MolecularWeight: 365.85116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(=CN(CC)C1=CC=CC(=C1Cl)C(=O)O)C(=O)CCC

Isomeric SMILES

CCCC(=O)C(=CN(CC)C1=CC=CC(=C1Cl)C(=O)O)C(=O)CCC

InChI

InChI=1S/C19H24ClNO4/c1-4-8-16(22)14(17(23)9-5-2)12-21(6-3)15-11-7-10-13(18(15)20)19(24)25/h7,10-12H,4-6,8-9H2,1-3H3,(H,24,25)