4-[(3-chloranyl-5-methoxy-4-phenethyloxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-chloranyl-5-methoxy-4-phenethyloxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-chloro-5-methoxy-4-phenethyloxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(3-chloro-5-methoxy-4-phenethyloxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(3-chloro-5-methoxy-4-phenethyloxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(3-chloro-5-methoxy-4-phenethyloxy-benzyl)amino]-4-keto-butyric acid Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC(=O)CCC(=O)O)Cl)OCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC(=O)CCC(=O)O)Cl)OCCC2=CC=CC=C2

InChI

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