ethyl 3-[2-[4-(4-acetamidobutanoylamino)butanoyl]-5-chloranyl-phenyl]propanoate

Systemtic Name: ethyl 3-[2-[4-(4-acetamidobutanoylamino)butanoyl]-5-chloranyl-phenyl]propanoate Openeye Name: ethyl 3-[2-[4-(4-acetamidobutanoylamino)butanoyl]-5-chloro-phenyl]propanoate CAS Name: 3-[2-[4-[(4-acetamido-1-oxobutyl)amino]-1-oxobutyl]-5-chlorophenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(4-acetamidobutanoylamino)butanoyl]-5-chlorophenyl]propanoate Traditional Name: 3-[2-[4-(4-acetamidobutanoylamino)butanoyl]-5-chloro-phenyl]propionic acid ethyl ester Formula: C21H29ClN2O5 MolecularWeight: 424.91836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=CC(=C1)Cl)C(=O)CCCNC(=O)CCCNC(=O)C

Isomeric SMILES

CCOC(=O)CCC1=C(C=CC(=C1)Cl)C(=O)CCCNC(=O)CCCNC(=O)C

InChI

InChI=1S/C21H29ClN2O5/c1-3-29-21(28)11-8-16-14-17(22)9-10-18(16)19(26)6-4-13-24-20(27)7-5-12-23-15(2)25/h9-10,14H,3-8,11-13H2,1-2H3,(H,23,25)(H,24,27)