4-[[[(1R,2R)-2-carboxylatocyclohexyl]carbonylamino]methyl]benzoate

Systemtic Name: 4-[[[(1R,2R)-2-carboxylatocyclohexyl]carbonylamino]methyl]benzoate Openeye Name: 4-[[[(1R,2R)-2-carboxylatocyclohexanecarbonyl]amino]methyl]benzoate CAS Name: 4-[[[[(1R,2R)-2-carboxylatocyclohexyl]-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[[(1R,2R)-2-carboxylatocyclohexanecarbonyl]amino]methyl]benzoate Traditional Name: 4-[[[(1R,2R)-2-carboxylatocyclohexanecarbonyl]amino]methyl]benzoate Formula: C16H17NO5-2 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC=C(C=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)NCC2=CC=C(C=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H19NO5/c18-14(12-3-1-2-4-13(12)16(21)22)17-9-10-5-7-11(8-6-10)15(19)20/h5-8,12-13H,1-4,9H2,(H,17,18)(H,19,20)(H,21,22)/p-2/t12-,13-/m1/s1