(1R,3S)-3-(6-cyano-1H-benzimidazol-2-yl)-1,2,2-trimethyl-cyclopentane-1-carboxylic acid

Systemtic Name: (1R,3S)-3-(6-cyano-1H-benzimidazol-2-yl)-1,2,2-trimethyl-cyclopentane-1-carboxylic acid Openeye Name: (1R,3S)-3-(6-cyano-1H-benzimidazol-2-yl)-1,2,2-trimethyl-cyclopentanecarboxylic acid CAS Name: (1R,3S)-3-(6-cyano-1H-benzimidazol-2-yl)-1,2,2-trimethyl-1-cyclopentanecarboxylic acid IUPAC Name: (1R,3S)-3-(6-cyano-1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid Traditional Name: (1R,3S)-3-(6-cyano-1H-benzimidazol-2-yl)-1,2,2-trimethyl-cyclopentanecarboxylic acid Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)O)C2=NC3=C(N2)C=C(C=C3)C#N)C

Isomeric SMILES

C[C@]1(CC[C@@H](C1(C)C)C2=NC3=C(N2)C=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C17H19N3O2/c1-16(2)11(6-7-17(16,3)15(21)22)14-19-12-5-4-10(9-18)8-13(12)20-14/h4-5,8,11H,6-7H2,1-3H3,(H,19,20)(H,21,22)/t11-,17+/m1/s1