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

Systemtic Name: 4-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(4-benzyloxy-3-chloro-5-methoxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(4-benzoxy-3-chloro-5-methoxy-benzyl)amino]-4-keto-butyric acid Formula: C19H20ClNO5 MolecularWeight: 377.8188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO5/c1-25-16-10-14(11-21-17(22)7-8-18(23)24)9-15(20)19(16)26-12-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11-12H2,1H3,(H,21,22)(H,23,24)