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

Systemtic Name: 4-[2-[4-methoxy-3-(3-phenylpropoxy)phenyl]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[4-methoxy-3-(3-phenylpropoxy)phenyl]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[4-methoxy-3-(3-phenylpropoxy)phenyl]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[4-methoxy-3-(3-phenylpropoxy)phenyl]ethylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-[4-methoxy-3-(3-phenylpropoxy)phenyl]ethylamino]butyric acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCC(=O)O)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCC(=O)O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO5/c1-27-19-10-9-18(13-14-23-21(24)11-12-22(25)26)16-20(19)28-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3,(H,23,24)(H,25,26)