2-[4-bromanyl-2-(2-hydroxyethyloxy)-5-methoxy-phenyl]-2-[(4-cyanophenyl)amino]ethanoate

Systemtic Name: 2-[4-bromanyl-2-(2-hydroxyethyloxy)-5-methoxy-phenyl]-2-[(4-cyanophenyl)amino]ethanoate Openeye Name: 2-[4-bromo-2-(2-hydroxyethoxy)-5-methoxy-phenyl]-2-(4-cyanoanilino)acetate CAS Name: 2-[4-bromo-2-(2-hydroxyethoxy)-5-methoxyphenyl]-2-(4-cyanoanilino)acetate IUPAC Name: 2-[4-bromo-2-(2-hydroxyethoxy)-5-methoxyphenyl]-2-(4-cyanoanilino)acetate Traditional Name: 2-[4-bromo-2-(2-hydroxyethoxy)-5-methoxy-phenyl]-2-(4-cyanoanilino)acetate Formula: C18H16BrN2O5- MolecularWeight: 420.23404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)OCCO)Br

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)OCCO)Br

InChI

InChI=1S/C18H17BrN2O5/c1-25-16-8-13(15(9-14(16)19)26-7-6-22)17(18(23)24)21-12-4-2-11(10-20)3-5-12/h2-5,8-9,17,21-22H,6-7H2,1H3,(H,23,24)/p-1