(1S)-2-[(4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S)-2-[(4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S)-2-[(4-cyanophenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S)-2-[(4-cyanoanilino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S)-2-[(4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S)-2-[(4-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=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1CCC([C@H](C1)C(=O)O)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H16N2O3/c16-9-10-5-7-11(8-6-10)17-14(18)12-3-1-2-4-13(12)15(19)20/h5-8,12-13H,1-4H2,(H,17,18)(H,19,20)/t12?,13-/m0/s1