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

Systemtic Name: methyl 4-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]-3-methyl-butanoate Openeye Name: methyl 4-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]-3-methyl-butanoate CAS Name: 4-[4-[[(4-cyanoanilino)-oxomethyl]-(2-hydroxyethyl)amino]phenyl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 4-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]-3-methylbutanoate Traditional Name: 4-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]-3-methyl-butyric acid methyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)N(CCO)C(=O)NC2=CC=C(C=C2)C#N)CC(=O)OC

Isomeric SMILES

CC(CC1=CC=C(C=C1)N(CCO)C(=O)NC2=CC=C(C=C2)C#N)CC(=O)OC

InChI

InChI=1S/C22H25N3O4/c1-16(14-21(27)29-2)13-17-5-9-20(10-6-17)25(11-12-26)22(28)24-19-7-3-18(15-23)4-8-19/h3-10,16,26H,11-14H2,1-2H3,(H,24,28)