3-chloranyl-N-hexyl-4-[2-oxidanyl-3-[2-(phenylcarbamoylamino)ethylamino]propoxy]benzamide

Systemtic Name: 3-chloranyl-N-hexyl-4-[2-oxidanyl-3-[2-(phenylcarbamoylamino)ethylamino]propoxy]benzamide Openeye Name: 3-chloro-N-hexyl-4-[2-hydroxy-3-[2-(phenylcarbamoylamino)ethylamino]propoxy]benzamide CAS Name: 4-[3-[2-[[anilino(oxo)methyl]amino]ethylamino]-2-hydroxypropoxy]-3-chloro-N-hexylbenzamide IUPAC Name: 3-chloro-N-hexyl-4-[2-hydroxy-3-[2-(phenylcarbamoylamino)ethylamino]propoxy]benzamide Traditional Name: 3-chloro-N-hexyl-4-[2-hydroxy-3-[2-(phenylcarbamoylamino)ethylamino]propoxy]benzamide Formula: C25H35ClN4O4 MolecularWeight: 491.0228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=C(C=C1)OCC(CNCCNC(=O)NC2=CC=CC=C2)O)Cl

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=C(C=C1)OCC(CNCCNC(=O)NC2=CC=CC=C2)O)Cl

InChI

InChI=1S/C25H35ClN4O4/c1-2-3-4-8-13-28-24(32)19-11-12-23(22(26)16-19)34-18-21(31)17-27-14-15-29-25(33)30-20-9-6-5-7-10-20/h5-7,9-12,16,21,27,31H,2-4,8,13-15,17-18H2,1H3,(H,28,32)(H2,29,30,33)