(1R,2S)-2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(2-benzoyl-4-chloro-phenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[(2-benzoyl-4-chloroanilino)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(2-benzoyl-4-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(2-benzoyl-4-chloro-phenyl)carbamoyl]cyclohexanecarboxylate Formula: C21H19ClNO4- MolecularWeight: 384.83286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@H](C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H20ClNO4/c22-14-10-11-18(17(12-14)19(24)13-6-2-1-3-7-13)23-20(25)15-8-4-5-9-16(15)21(26)27/h1-3,6-7,10-12,15-16H,4-5,8-9H2,(H,23,25)(H,26,27)/p-1/t15-,16+/m0/s1