4-[2-(3-chloranyl-4-hexoxy-5-methoxy-phenyl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(3-chloranyl-4-hexoxy-5-methoxy-phenyl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(3-chloro-4-hexoxy-5-methoxy-phenyl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-(3-chloro-4-hexoxy-5-methoxyphenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-(3-chloro-4-hexoxy-5-methoxyphenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-(3-chloro-4-hexoxy-5-methoxy-phenyl)ethylamino]-4-keto-butyric acid Formula: C19H28ClNO5 MolecularWeight: 385.88232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Cl)CCNC(=O)CCC(=O)O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Cl)CCNC(=O)CCC(=O)O)OC

InChI

InChI=1S/C19H28ClNO5/c1-3-4-5-6-11-26-19-15(20)12-14(13-16(19)25-2)9-10-21-17(22)7-8-18(23)24/h12-13H,3-11H2,1-2H3,(H,21,22)(H,23,24)