(1S,2R)-2-(quinolin-8-ylcarbamoyl)cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-(quinolin-8-ylcarbamoyl)cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-(8-quinolylcarbamoyl)cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[oxo-(8-quinolinylamino)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-(quinolin-8-ylcarbamoyl)cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-(8-quinolylcarbamoyl)cyclohexanecarboxylic acid Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=CC3=C2N=CC=C3)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=CC3=C2N=CC=C3)C(=O)O

InChI

InChI=1S/C17H18N2O3/c20-16(12-7-1-2-8-13(12)17(21)22)19-14-9-3-5-11-6-4-10-18-15(11)14/h3-6,9-10,12-13H,1-2,7-8H2,(H,19,20)(H,21,22)/t12-,13+/m1/s1