2-[2-(2-azanyl-5-chloranyl-phenyl)-1-(4-methoxyphenyl)ethyl]-2-ethyl-propanedioic acid

Systemtic Name: 2-[2-(2-azanyl-5-chloranyl-phenyl)-1-(4-methoxyphenyl)ethyl]-2-ethyl-propanedioic acid Openeye Name: 2-[2-(2-amino-5-chloro-phenyl)-1-(4-methoxyphenyl)ethyl]-2-ethyl-propanedioic acid CAS Name: 2-[2-(2-amino-5-chlorophenyl)-1-(4-methoxyphenyl)ethyl]-2-ethylpropanedioic acid IUPAC Name: 2-[2-(2-amino-5-chlorophenyl)-1-(4-methoxyphenyl)ethyl]-2-ethylpropanedioic acid Traditional Name: 2-[2-(2-amino-5-chloro-phenyl)-1-(4-methoxyphenyl)ethyl]-2-ethyl-malonic acid Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC1=C(C=CC(=C1)Cl)N)C2=CC=C(C=C2)OC)(C(=O)O)C(=O)O

Isomeric SMILES

CCC(C(CC1=C(C=CC(=C1)Cl)N)C2=CC=C(C=C2)OC)(C(=O)O)C(=O)O

InChI

InChI=1S/C20H22ClNO5/c1-3-20(18(23)24,19(25)26)16(12-4-7-15(27-2)8-5-12)11-13-10-14(21)6-9-17(13)22/h4-10,16H,3,11,22H2,1-2H3,(H,23,24)(H,25,26)