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

Systemtic Name: 2-[2-(2-azanylethoxy)-5-ethyl-phenyl]-2-[(4-cyanophenyl)amino]ethanoate ethanoate Openeye Name: 2-[2-(2-aminoethoxy)-5-ethyl-phenyl]-2-(4-cyanoanilino)acetate acetate CAS Name: 2-[2-(2-aminoethoxy)-5-ethylphenyl]-2-(4-cyanoanilino)acetate acetate IUPAC Name: 2-[2-(2-aminoethoxy)-5-ethylphenyl]-2-(4-cyanoanilino)acetate acetate Traditional Name: 2-[2-(2-aminoethoxy)-5-ethyl-phenyl]-2-(4-cyanoanilino)acetate acetate Formula: C21H23N3O5-2 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCN)C(C(=O)[O-])NC2=CC=C(C=C2)C#N.CC(=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCN)C(C(=O)[O-])NC2=CC=C(C=C2)C#N.CC(=O)[O-]

InChI

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