4-[[4-[(3-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(3-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-[(3-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[4-(3-chlorobenzyl)oxy-3-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)OCC2=CC(=CC=C2)Cl

Isomeric SMILES

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

InChI

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