(1R,2S)-2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(3-bromophenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[(3-bromoanilino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(3-bromophenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C14H16BrNO3 MolecularWeight: 326.18574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

C1CC[C@H]([C@H](C1)C(=O)NC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C14H16BrNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)/t11-,12+/m0/s1