diethyl 2-[3-[2-(4-acetamidobutanoyl)-5-chloranyl-phenyl]propanoylamino]pentanedioate

Systemtic Name: diethyl 2-[3-[2-(4-acetamidobutanoyl)-5-chloranyl-phenyl]propanoylamino]pentanedioate Openeye Name: diethyl 2-[3-[2-(4-acetamidobutanoyl)-5-chloro-phenyl]propanoylamino]pentanedioate CAS Name: 2-[[3-[2-(4-acetamido-1-oxobutyl)-5-chlorophenyl]-1-oxopropyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-[2-(4-acetamidobutanoyl)-5-chlorophenyl]propanoylamino]pentanedioate Traditional Name: 2-[3-[2-(4-acetamidobutanoyl)-5-chloro-phenyl]propanoylamino]glutaric acid diethyl ester Formula: C24H33ClN2O7 MolecularWeight: 496.98102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)CCC1=C(C=CC(=C1)Cl)C(=O)CCCNC(=O)C

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)CCC1=C(C=CC(=C1)Cl)C(=O)CCCNC(=O)C

InChI

InChI=1S/C24H33ClN2O7/c1-4-33-23(31)13-11-20(24(32)34-5-2)27-22(30)12-8-17-15-18(25)9-10-19(17)21(29)7-6-14-26-16(3)28/h9-10,15,20H,4-8,11-14H2,1-3H3,(H,26,28)(H,27,30)