hexan-3-yl 3-[3-[(4-chloranyl-2-oxidanyl-phenyl)carbonylamino]phenyl]-2-oxidanylidene-propanoate

Systemtic Name: hexan-3-yl 3-[3-[(4-chloranyl-2-oxidanyl-phenyl)carbonylamino]phenyl]-2-oxidanylidene-propanoate Openeye Name: 1-ethylbutyl 3-[3-[(4-chloro-2-hydroxy-benzoyl)amino]phenyl]-2-oxo-propanoate CAS Name: 3-[3-[[(4-chloro-2-hydroxyphenyl)-oxomethyl]amino]phenyl]-2-oxopropanoic acid hexan-3-yl ester IUPAC Name: hexan-3-yl 3-[3-[(4-chloro-2-hydroxybenzoyl)amino]phenyl]-2-oxopropanoate Traditional Name: 3-[3-[(4-chloro-2-hydroxy-benzoyl)amino]phenyl]-2-keto-propionic acid 1-ethylbutyl ester Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)OC(=O)C(=O)CC1=CC(=CC=C1)NC(=O)C2=C(C=C(C=C2)Cl)O

Isomeric SMILES

CCCC(CC)OC(=O)C(=O)CC1=CC(=CC=C1)NC(=O)C2=C(C=C(C=C2)Cl)O

InChI

InChI=1S/C22H24ClNO5/c1-3-6-17(4-2)29-22(28)20(26)12-14-7-5-8-16(11-14)24-21(27)18-10-9-15(23)13-19(18)25/h5,7-11,13,17,25H,3-4,6,12H2,1-2H3,(H,24,27)