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

Systemtic Name: methyl 3-[4-[(4-cyano-2-methyl-phenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]propanoate Openeye Name: methyl 3-[4-[(4-cyano-2-methyl-phenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]propanoate CAS Name: 3-[4-[[(4-cyano-2-methylanilino)-oxomethyl]-(2-hydroxyethyl)amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-cyano-2-methylphenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]propanoate Traditional Name: 3-[4-[(4-cyano-2-methyl-phenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]propionic acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)NC(=O)N(CCO)C2=CC=C(C=C2)CCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)NC(=O)N(CCO)C2=CC=C(C=C2)CCC(=O)OC

InChI

InChI=1S/C21H23N3O4/c1-15-13-17(14-22)5-9-19(15)23-21(27)24(11-12-25)18-7-3-16(4-8-18)6-10-20(26)28-2/h3-5,7-9,13,25H,6,10-12H2,1-2H3,(H,23,27)