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

Systemtic Name: methyl 4-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]butanoate Openeye Name: methyl 4-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]butanoate CAS Name: 4-[4-[[(4-cyanoanilino)-oxomethyl]-(2-hydroxyethyl)amino]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]butanoate Traditional Name: 4-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]butyric acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)N(CCO)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)N(CCO)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H23N3O4/c1-28-20(26)4-2-3-16-7-11-19(12-8-16)24(13-14-25)21(27)23-18-9-5-17(15-22)6-10-18/h5-12,25H,2-4,13-14H2,1H3,(H,23,27)