4-[[(1S,3S)-3-[(4-carboxyphenyl)carbamoyl]cyclohexyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[(1S,3S)-3-[(4-carboxyphenyl)carbamoyl]cyclohexyl]carbonylamino]benzoic acid Openeye Name: 4-[[(1S,3S)-3-[(4-carboxyphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoic acid CAS Name: 4-[[[(1S,3S)-3-[(4-carboxyanilino)-oxomethyl]cyclohexyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[(1S,3S)-3-[(4-carboxyphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoic acid Traditional Name: 4-[[(1S,3S)-3-[(4-carboxyphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoic acid Formula: C22H22N2O6 MolecularWeight: 410.41988

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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)/t15-,16-/m0/s1