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

Systemtic Name: 4-[2-[5-chloranyl-2-(3-phenylpropoxy)phenyl]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[5-chloro-2-(3-phenylpropoxy)phenyl]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[5-chloro-2-(3-phenylpropoxy)phenyl]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[5-chloro-2-(3-phenylpropoxy)phenyl]ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[5-chloro-2-(3-phenylpropoxy)phenyl]ethylamino]-4-keto-butyric acid Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO4/c22-18-8-9-19(27-14-4-7-16-5-2-1-3-6-16)17(15-18)12-13-23-20(24)10-11-21(25)26/h1-3,5-6,8-9,15H,4,7,10-14H2,(H,23,24)(H,25,26)