4-[[(1S,3S)-3-[(4-carboxylatophenyl)carbamoyl]cyclohexyl]carbonylamino]benzoate

Systemtic Name: 4-[[(1S,3S)-3-[(4-carboxylatophenyl)carbamoyl]cyclohexyl]carbonylamino]benzoate Openeye Name: 4-[[(1S,3S)-3-[(4-carboxylatophenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate CAS Name: 4-[[[(1S,3S)-3-[(4-carboxylatoanilino)-oxomethyl]cyclohexyl]-oxomethyl]amino]benzoate IUPAC Name: 4-[[(1S,3S)-3-[(4-carboxylatophenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate Traditional Name: 4-[[(1S,3S)-3-[(4-carboxylatophenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate Formula: C22H20N2O6-2 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)C(=O)NC2=CC=C(C=C2)C(=O)[O-])C(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[C@H](C1)C(=O)NC2=CC=C(C=C2)C(=O)[O-])C(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C22H22N2O6/c25-19(23-17-8-4-13(5-9-17)21(27)28)15-2-1-3-16(12-15)20(26)24-18-10-6-14(7-11-18)22(29)30/h4-11,15-16H,1-3,12H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/p-2/t15-,16-/m0/s1