[5-bromanyl-2-(2-hydroxyethyloxy)-3-methoxy-phenyl] 2-[(4-cyanophenyl)amino]ethanoate

Systemtic Name: [5-bromanyl-2-(2-hydroxyethyloxy)-3-methoxy-phenyl] 2-[(4-cyanophenyl)amino]ethanoate Openeye Name: [5-bromo-2-(2-hydroxyethoxy)-3-methoxy-phenyl] 2-(4-cyanoanilino)acetate CAS Name: 2-(4-cyanoanilino)acetic acid [5-bromo-2-(2-hydroxyethoxy)-3-methoxyphenyl] ester IUPAC Name: [5-bromo-2-(2-hydroxyethoxy)-3-methoxyphenyl] 2-(4-cyanoanilino)acetate Traditional Name: 2-(4-cyanoanilino)acetic acid [5-bromo-2-(2-hydroxyethoxy)-3-methoxy-phenyl] ester Formula: C18H17BrN2O5 MolecularWeight: 421.24198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)OC(=O)CNC2=CC=C(C=C2)C#N)OCCO

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)OC(=O)CNC2=CC=C(C=C2)C#N)OCCO

InChI

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