(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[(3,4-dichlorophenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexanecarboxylate Formula: C15H16Cl2NO3- MolecularWeight: 329.19844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC(=C(C=C2)Cl)Cl)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)NCC2=CC(=C(C=C2)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C15H17Cl2NO3/c16-12-6-5-9(7-13(12)17)8-18-14(19)10-3-1-2-4-11(10)15(20)21/h5-7,10-11H,1-4,8H2,(H,18,19)(H,20,21)/p-1/t10-,11-/m0/s1