5-[2,6-bis(chloranyl)phenyl]carbonyloxy-4-oxidanylidene-3-(3-phenylpropanoylamino)pentanoic acid

Systemtic Name: 5-[2,6-bis(chloranyl)phenyl]carbonyloxy-4-oxidanylidene-3-(3-phenylpropanoylamino)pentanoic acid Openeye Name: 5-(2,6-dichlorobenzoyl)oxy-4-oxo-3-(3-phenylpropanoylamino)pentanoic acid CAS Name: 5-[(2,6-dichlorophenyl)-oxomethoxy]-4-oxo-3-[(1-oxo-3-phenylpropyl)amino]pentanoic acid IUPAC Name: 5-(2,6-dichlorobenzoyl)oxy-4-oxo-3-(3-phenylpropanoylamino)pentanoic acid Traditional Name: 5-(2,6-dichlorobenzoyl)oxy-3-(hydrocinnamoylamino)-4-keto-valeric acid Formula: C21H19Cl2NO6 MolecularWeight: 452.28466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CC(=O)O)C(=O)COC(=O)C2=C(C=CC=C2Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(CC(=O)O)C(=O)COC(=O)C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C21H19Cl2NO6/c22-14-7-4-8-15(23)20(14)21(29)30-12-17(25)16(11-19(27)28)24-18(26)10-9-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,24,26)(H,27,28)