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

Systemtic Name: methyl 3-[3-chloranyl-4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]propanoate Openeye Name: methyl 3-[3-chloro-4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]propanoate CAS Name: 3-[3-chloro-4-[[(4-cyanoanilino)-oxomethyl]-(2-hydroxyethyl)amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-chloro-4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]propanoate Traditional Name: 3-[3-chloro-4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]propionic acid methyl ester Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O4/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)