4-[[5-chloranyl-2-(3-phenylpropoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-chloranyl-2-(3-phenylpropoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-chloro-2-(3-phenylpropoxy)phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[5-chloro-2-(3-phenylpropoxy)phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[5-chloro-2-(3-phenylpropoxy)phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[5-chloro-2-(3-phenylpropoxy)benzyl]amino]-4-keto-butyric acid Formula: C20H22ClNO4 MolecularWeight: 375.84598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=C(C=C(C=C2)Cl)CNC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=C(C=C(C=C2)Cl)CNC(=O)CCC(=O)O

InChI

InChI=1S/C20H22ClNO4/c21-17-8-9-18(26-12-4-7-15-5-2-1-3-6-15)16(13-17)14-22-19(23)10-11-20(24)25/h1-3,5-6,8-9,13H,4,7,10-12,14H2,(H,22,23)(H,24,25)