4-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC(=O)CCC(=O)O)Cl)OCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC(=O)CCC(=O)O)Cl)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22ClNO5/c1-2-26-17-11-15(12-22-18(23)8-9-19(24)25)10-16(21)20(17)27-13-14-6-4-3-5-7-14/h3-7,10-11H,2,8-9,12-13H2,1H3,(H,22,23)(H,24,25)