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

Systemtic Name: 4-[2-(4-methoxy-3-phenethyloxy-phenyl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(4-methoxy-3-phenethyloxy-phenyl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-(4-methoxy-3-phenethyloxyphenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-(4-methoxy-3-phenethyloxyphenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-(4-methoxy-3-phenethyloxy-phenyl)ethylamino]butyric acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCC(=O)O)OCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCC(=O)O)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO5/c1-26-18-8-7-17(11-13-22-20(23)9-10-21(24)25)15-19(18)27-14-12-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,22,23)(H,24,25)