pyridin-3-ylmethyl 3-[2-(4-acetamidobutanoyl)-5-chloranyl-phenyl]propanoate

Systemtic Name: pyridin-3-ylmethyl 3-[2-(4-acetamidobutanoyl)-5-chloranyl-phenyl]propanoate Openeye Name: 3-pyridylmethyl 3-[2-(4-acetamidobutanoyl)-5-chloro-phenyl]propanoate CAS Name: 3-[2-(4-acetamido-1-oxobutyl)-5-chlorophenyl]propanoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 3-[2-(4-acetamidobutanoyl)-5-chlorophenyl]propanoate Traditional Name: 3-[2-(4-acetamidobutanoyl)-5-chloro-phenyl]propionic acid 3-pyridylmethyl ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC(=O)C1=C(C=C(C=C1)Cl)CCC(=O)OCC2=CN=CC=C2

Isomeric SMILES

CC(=O)NCCCC(=O)C1=C(C=C(C=C1)Cl)CCC(=O)OCC2=CN=CC=C2

InChI

InChI=1S/C21H23ClN2O4/c1-15(25)24-11-3-5-20(26)19-8-7-18(22)12-17(19)6-9-21(27)28-14-16-4-2-10-23-13-16/h2,4,7-8,10,12-13H,3,5-6,9,11,14H2,1H3,(H,24,25)