[2-(2-azanylethoxy)-5-ethyl-phenyl] 2-[(4-cyanophenyl)amino]ethanoate; ethanoic acid

Systemtic Name: [2-(2-azanylethoxy)-5-ethyl-phenyl] 2-[(4-cyanophenyl)amino]ethanoate; ethanoic acid Openeye Name: acetic acid; [2-(2-aminoethoxy)-5-ethyl-phenyl] 2-(4-cyanoanilino)acetate CAS Name: acetic acid; 2-(4-cyanoanilino)acetic acid [2-(2-aminoethoxy)-5-ethylphenyl] ester IUPAC Name: acetic acid; [2-(2-aminoethoxy)-5-ethylphenyl] 2-(4-cyanoanilino)acetate Traditional Name: acetic acid; 2-(4-cyanoanilino)acetic acid [2-(2-aminoethoxy)-5-ethyl-phenyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCN)OC(=O)CNC2=CC=C(C=C2)C#N.CC(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCN)OC(=O)CNC2=CC=C(C=C2)C#N.CC(=O)O

InChI

InChI=1S/C19H21N3O3.C2H4O2/c1-2-14-5-8-17(24-10-9-20)18(11-14)25-19(23)13-22-16-6-3-15(12-21)4-7-16;1-2(3)4/h3-8,11,22H,2,9-10,13,20H2,1H3;1H3,(H,3,4)