(1R,2S)-2-[[[4-(butanoylamino)phenyl]carbonylamino]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[[[4-(butanoylamino)phenyl]carbonylamino]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[[[4-(butanoylamino)benzoyl]amino]carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[oxo-[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[[[4-(butanoylamino)benzoyl]amino]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[[(4-butyramidobenzoyl)amino]carbamoyl]cyclohexanecarboxylate Formula: C19H24N3O5- MolecularWeight: 374.41096

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C19H25N3O5/c1-2-5-16(23)20-13-10-8-12(9-11-13)17(24)21-22-18(25)14-6-3-4-7-15(14)19(26)27/h8-11,14-15H,2-7H2,1H3,(H,20,23)(H,21,24)(H,22,25)(H,26,27)/p-1/t14-,15+/m0/s1