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

Systemtic Name: 3-[(2-butanoyl-3-oxidanylidene-hex-1-enyl)-methyl-amino]-2-chloranyl-benzoic acid Openeye Name: 3-[(2-butanoyl-3-oxo-hex-1-enyl)-methyl-amino]-2-chloro-benzoic acid CAS Name: 2-chloro-3-[methyl-[3-oxo-2-(1-oxobutyl)hex-1-enyl]amino]benzoic acid IUPAC Name: 3-[(2-butanoyl-3-oxohex-1-enyl)-methylamino]-2-chlorobenzoic acid Traditional Name: 3-[(2-butyryl-3-keto-hex-1-enyl)-methyl-amino]-2-chloro-benzoic acid Formula: C18H22ClNO4 MolecularWeight: 351.82458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO4/c1-4-7-15(21)13(16(22)8-5-2)11-20(3)14-10-6-9-12(17(14)19)18(23)24/h6,9-11H,4-5,7-8H2,1-3H3,(H,23,24)