7-[2-(4-acetamidobutanoyl)-5-chloranyl-phenyl]-4-ethoxycarbonyl-4-(ethylamino)-5-oxidanylidene-heptanoic acid

Systemtic Name: 7-[2-(4-acetamidobutanoyl)-5-chloranyl-phenyl]-4-ethoxycarbonyl-4-(ethylamino)-5-oxidanylidene-heptanoic acid Openeye Name: 7-[2-(4-acetamidobutanoyl)-5-chloro-phenyl]-4-ethoxycarbonyl-4-(ethylamino)-5-oxo-heptanoic acid CAS Name: 7-[2-(4-acetamido-1-oxobutyl)-5-chlorophenyl]-4-ethoxycarbonyl-4-(ethylamino)-5-oxoheptanoic acid IUPAC Name: 7-[2-(4-acetamidobutanoyl)-5-chlorophenyl]-4-ethoxycarbonyl-4-(ethylamino)-5-oxoheptanoic acid Traditional Name: 7-[2-(4-acetamidobutanoyl)-5-chloro-phenyl]-4-carbethoxy-4-(ethylamino)-5-keto-enanthic acid Formula: C24H33ClN2O7 MolecularWeight: 496.98102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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