4-[2-[3-[(3-chlorophenyl)methoxy]-4-methoxy-phenyl]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[3-[(3-chlorophenyl)methoxy]-4-methoxy-phenyl]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[3-[(3-chlorophenyl)methoxy]-4-methoxy-phenyl]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[3-(3-chlorobenzyl)oxy-4-methoxy-phenyl]ethylamino]-4-keto-butyric acid Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCC(=O)O)OCC2=CC(=CC=C2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCC(=O)O)OCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H22ClNO5/c1-26-17-6-5-14(9-10-22-19(23)7-8-20(24)25)12-18(17)27-13-15-3-2-4-16(21)11-15/h2-6,11-12H,7-10,13H2,1H3,(H,22,23)(H,24,25)