methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]-3-fluoranyl-phenyl]propanoate

Systemtic Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]-3-fluoranyl-phenyl]propanoate Openeye Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]-3-fluoro-phenyl]propanoate CAS Name: 3-[4-[[(4-cyanoanilino)-oxomethyl]-(2-hydroxyethyl)amino]-3-fluorophenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]-3-fluorophenyl]propanoate Traditional Name: 3-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]-3-fluoro-phenyl]propionic acid methyl ester Formula: C20H20FN3O4 MolecularWeight: 385.388903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)N(CCO)C(=O)NC2=CC=C(C=C2)C#N)F

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)N(CCO)C(=O)NC2=CC=C(C=C2)C#N)F

InChI

InChI=1S/C20H20FN3O4/c1-28-19(26)9-5-14-4-8-18(17(21)12-14)24(10-11-25)20(27)23-16-6-2-15(13-22)3-7-16/h2-4,6-8,12,25H,5,9-11H2,1H3,(H,23,27)