N-[1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxidanylidene-pentan-2-yl]carbamoyl]cyclohexyl]-4-nitro-benzamide

Systemtic Name: N-[1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxidanylidene-pentan-2-yl]carbamoyl]cyclohexyl]-4-nitro-benzamide Openeye Name: N-[1-[[(1S)-1-(1,3-benzoxazole-2-carbonyl)butyl]carbamoyl]cyclohexyl]-4-nitro-benzamide CAS Name: N-[1-[[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]amino]-oxomethyl]cyclohexyl]-4-nitrobenzamide IUPAC Name: N-[1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]-4-nitrobenzamide Traditional Name: N-[1-[[(1S)-1-(1,3-benzoxazole-2-carbonyl)butyl]carbamoyl]cyclohexyl]-4-nitro-benzamide Formula: C26H28N4O6 MolecularWeight: 492.52372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C3(CCCCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC[C@@H](C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C3(CCCCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O6/c1-2-8-20(22(31)24-27-19-9-4-5-10-21(19)36-24)28-25(33)26(15-6-3-7-16-26)29-23(32)17-11-13-18(14-12-17)30(34)35/h4-5,9-14,20H,2-3,6-8,15-16H2,1H3,(H,28,33)(H,29,32)/t20-/m0/s1