(1R,2S)-2-[[2-[(3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl)oxy]ethanoylamino]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[[2-[(3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl)oxy]ethanoylamino]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[[[2-(3-ethoxycarbonyl-2-methyl-benzofuran-5-yl)oxyacetyl]amino]carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[[2-[(3-ethoxycarbonyl-2-methyl-5-benzofuranyl)oxy]-1-oxoethyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[[[2-[(3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl)oxy]acetyl]amino]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[[[2-(3-carbethoxy-2-methyl-benzofuran-5-yl)oxyacetyl]amino]carbamoyl]cyclohexanecarboxylate Formula: C22H25N2O8- MolecularWeight: 445.4425

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)NNC(=O)C3CCCCC3C(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)NNC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])C

InChI

InChI=1S/C22H26N2O8/c1-3-30-22(29)19-12(2)32-17-9-8-13(10-16(17)19)31-11-18(25)23-24-20(26)14-6-4-5-7-15(14)21(27)28/h8-10,14-15H,3-7,11H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)/p-1/t14-,15+/m0/s1