(1S,2R)-2-[[3,5-bis(ethoxycarbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[[3,5-bis(ethoxycarbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[[3,5-bis(ethoxycarbonyl)phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[3,5-bis(ethoxycarbonyl)anilino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[[3,5-bis(ethoxycarbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(3,5-dicarbethoxyphenyl)carbamoyl]cyclohexanecarboxylate Formula: C20H24NO7- MolecularWeight: 390.40706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCCC2C(=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H25NO7/c1-3-27-19(25)12-9-13(20(26)28-4-2)11-14(10-12)21-17(22)15-7-5-6-8-16(15)18(23)24/h9-11,15-16H,3-8H2,1-2H3,(H,21,22)(H,23,24)/p-1/t15-,16+/m1/s1