2-[[(1S,2S)-2-[(2-carboxylatophenyl)carbonylamino]cyclohexyl]carbamoyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2=CC=CC=C2C(=O)[O-])NC(=O)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)NC(=O)C2=CC=CC=C2C(=O)[O-])NC(=O)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C22H22N2O6/c25-19(13-7-1-3-9-15(13)21(27)28)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22(29)30/h1-4,7-10,17-18H,5-6,11-12H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/p-2/t17-,18-/m0/s1