3-[2-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]oxyphenyl]propanoic acid

Systemtic Name: 3-[2-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]oxyphenyl]propanoic acid Openeye Name: 3-[2-[2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-2-oxo-ethoxy]phenyl]propanoic acid CAS Name: 3-[2-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxyphenyl]propanoic acid IUPAC Name: 3-[2-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxyphenyl]propanoic acid Traditional Name: 3-[2-[2-keto-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-ethoxy]phenyl]propionic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)OC2=CC=CC=C2CCC(=O)O

Isomeric SMILES

CC(C(=O)NCCC1=CC=C(C=C1)OC)OC2=CC=CC=C2CCC(=O)O

InChI

InChI=1S/C21H25NO5/c1-15(27-19-6-4-3-5-17(19)9-12-20(23)24)21(25)22-14-13-16-7-10-18(26-2)11-8-16/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,22,25)(H,23,24)