4-[2-(5-chloranyl-2-hexoxy-phenyl)ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-(5-chloranyl-2-hexoxy-phenyl)ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-(5-chloro-2-hexoxy-phenyl)ethylamino]-4-oxo-butanoate CAS Name: 4-[2-(5-chloro-2-hexoxyphenyl)ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-(5-chloro-2-hexoxyphenyl)ethylamino]-4-oxobutanoate Traditional Name: 4-[2-(5-chloro-2-hexoxy-phenyl)ethylamino]-4-keto-butyrate Formula: C18H25ClNO4- MolecularWeight: 354.8484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Cl)CCNC(=O)CCC(=O)[O-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Cl)CCNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H26ClNO4/c1-2-3-4-5-12-24-16-7-6-15(19)13-14(16)10-11-20-17(21)8-9-18(22)23/h6-7,13H,2-5,8-12H2,1H3,(H,20,21)(H,22,23)/p-1