2-[2-(2-acetamidoethoxy)-5-ethyl-phenyl]-2-[(4-cyanophenyl)amino]ethanoic acid

Systemtic Name: 2-[2-(2-acetamidoethoxy)-5-ethyl-phenyl]-2-[(4-cyanophenyl)amino]ethanoic acid Openeye Name: 2-[2-(2-acetamidoethoxy)-5-ethyl-phenyl]-2-(4-cyanoanilino)acetic acid CAS Name: 2-[2-(2-acetamidoethoxy)-5-ethylphenyl]-2-(4-cyanoanilino)acetic acid IUPAC Name: 2-[2-(2-acetamidoethoxy)-5-ethylphenyl]-2-(4-cyanoanilino)acetic acid Traditional Name: 2-[2-(2-acetamidoethoxy)-5-ethyl-phenyl]-2-(4-cyanoanilino)acetic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCNC(=O)C)C(C(=O)O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCNC(=O)C)C(C(=O)O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H23N3O4/c1-3-15-6-9-19(28-11-10-23-14(2)25)18(12-15)20(21(26)27)24-17-7-4-16(13-22)5-8-17/h4-9,12,20,24H,3,10-11H2,1-2H3,(H,23,25)(H,26,27)