3-[4-[1-[(3-chlorophenyl)-ethyl-amino]-1-oxidanylidene-propan-2-yl]oxyphenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-[1-[(3-chlorophenyl)-ethyl-amino]-1-oxidanylidene-propan-2-yl]oxyphenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[2-(3-chloro-N-ethyl-anilino)-1-methyl-2-oxo-ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[1-(3-chloro-N-ethylanilino)-1-oxopropan-2-yl]oxyphenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[1-(3-chloro-N-ethylanilino)-1-oxopropan-2-yl]oxyphenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[2-(3-chloro-N-ethyl-anilino)-2-keto-1-methyl-ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C22H26ClNO5 MolecularWeight: 419.89854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=CC=C1)Cl)C(=O)C(C)OC2=CC=C(C=C2)CC(C(=O)O)OCC

Isomeric SMILES

CCN(C1=CC(=CC=C1)Cl)C(=O)C(C)OC2=CC=C(C=C2)CC(C(=O)O)OCC

InChI

InChI=1S/C22H26ClNO5/c1-4-24(18-8-6-7-17(23)14-18)21(25)15(3)29-19-11-9-16(10-12-19)13-20(22(26)27)28-5-2/h6-12,14-15,20H,4-5,13H2,1-3H3,(H,26,27)