(1R,3S)-1,2,2-trimethyl-3-(pyridin-2-ylmethoxycarbonyl)cyclopentane-1-carboxylic acid

Systemtic Name: (1R,3S)-1,2,2-trimethyl-3-(pyridin-2-ylmethoxycarbonyl)cyclopentane-1-carboxylic acid Openeye Name: (1R,3S)-1,2,2-trimethyl-3-(2-pyridylmethoxycarbonyl)cyclopentanecarboxylic acid CAS Name: (1R,3S)-1,2,2-trimethyl-3-[oxo(2-pyridinylmethoxy)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: (1R,3S)-1,2,2-trimethyl-3-(pyridin-2-ylmethoxycarbonyl)cyclopentane-1-carboxylic acid Traditional Name: (1R,3S)-1,2,2-trimethyl-3-(2-pyridylmethoxycarbonyl)cyclopentanecarboxylic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)O)C(=O)OCC2=CC=CC=N2)C

Isomeric SMILES

C[C@]1(CC[C@@H](C1(C)C)C(=O)OCC2=CC=CC=N2)C(=O)O

InChI

InChI=1S/C16H21NO4/c1-15(2)12(7-8-16(15,3)14(19)20)13(18)21-10-11-6-4-5-9-17-11/h4-6,9,12H,7-8,10H2,1-3H3,(H,19,20)/t12-,16+/m1/s1