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

Systemtic Name: (1S,2S)-2-[(3-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[(3-cyanophenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[(3-cyanoanilino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-[(3-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-[(3-cyanophenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3/c16-9-10-4-3-5-11(8-10)17-14(18)12-6-1-2-7-13(12)15(19)20/h3-5,8,12-13H,1-2,6-7H2,(H,17,18)(H,19,20)/t12-,13-/m0/s1