(1S,2S)-2-[(2-bromophenyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(2-bromophenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(2-bromophenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[(2-bromoanilino)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(2-bromophenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(2-bromophenyl)carbamoyl]cyclohexanecarboxylate Formula: C14H15BrNO3- MolecularWeight: 325.1778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=CC=C2Br)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)NC2=CC=CC=C2Br)C(=O)[O-]

InChI

InChI=1S/C14H16BrNO3/c15-11-7-3-4-8-12(11)16-13(17)9-5-1-2-6-10(9)14(18)19/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)/p-1/t9-,10-/m0/s1