3-[[(1R,2S)-2-carboxycyclohexyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[(1R,2S)-2-carboxycyclohexyl]carbonylamino]benzoic acid Openeye Name: 3-[[(1R,2S)-2-carboxycyclohexanecarbonyl]amino]benzoic acid CAS Name: 3-[[[(1R,2S)-2-carboxycyclohexyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[(1R,2S)-2-carboxycyclohexanecarbonyl]amino]benzoic acid Traditional Name: 3-[[(1R,2S)-2-carboxycyclohexanecarbonyl]amino]benzoic acid Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H17NO5/c17-13(11-6-1-2-7-12(11)15(20)21)16-10-5-3-4-9(8-10)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)(H,20,21)/t11-,12+/m1/s1