4-[[(1S,3S)-3-carboxylato-2,2,3-trimethyl-cyclopentyl]carbonylamino]benzoate

Systemtic Name: 4-[[(1S,3S)-3-carboxylato-2,2,3-trimethyl-cyclopentyl]carbonylamino]benzoate Openeye Name: 4-[[(1S,3S)-3-carboxylato-2,2,3-trimethyl-cyclopentanecarbonyl]amino]benzoate CAS Name: 4-[[[(1S,3S)-3-carboxylato-2,2,3-trimethylcyclopentyl]-oxomethyl]amino]benzoate IUPAC Name: 4-[[(1S,3S)-3-carboxylato-2,2,3-trimethylcyclopentanecarbonyl]amino]benzoate Traditional Name: 4-[[(1S,3S)-3-carboxylato-2,2,3-trimethyl-cyclopentanecarbonyl]amino]benzoate Formula: C17H19NO5-2 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

C[C@@]1(CC[C@@H](C1(C)C)C(=O)NC2=CC=C(C=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H21NO5/c1-16(2)12(8-9-17(16,3)15(22)23)13(19)18-11-6-4-10(5-7-11)14(20)21/h4-7,12H,8-9H2,1-3H3,(H,18,19)(H,20,21)(H,22,23)/p-2/t12-,17-/m1/s1