4-azanyl-5-chloranyl-2-(2-ethoxyhex-4-yn-3-yloxy)-3-octan-3-yl-benzamide

Systemtic Name: 4-azanyl-5-chloranyl-2-(2-ethoxyhex-4-yn-3-yloxy)-3-octan-3-yl-benzamide Openeye Name: 4-amino-5-chloro-2-[1-(1-ethoxyethyl)but-2-ynoxy]-3-(1-ethylhexyl)benzamide CAS Name: 4-amino-5-chloro-2-(2-ethoxyhex-4-yn-3-yloxy)-3-octan-3-ylbenzamide IUPAC Name: 4-amino-5-chloro-2-(2-ethoxyhex-4-yn-3-yloxy)-3-octan-3-ylbenzamide Traditional Name: 4-amino-5-chloro-2-[1-(1-ethoxyethyl)but-2-ynoxy]-3-(1-ethylhexyl)benzamide Formula: C23H35ClN2O3 MolecularWeight: 422.9886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C(=CC(=C1N)Cl)C(=O)N)OC(C#CC)C(C)OCC

Isomeric SMILES

CCCCCC(CC)C1=C(C(=CC(=C1N)Cl)C(=O)N)OC(C#CC)C(C)OCC

InChI

InChI=1S/C23H35ClN2O3/c1-6-10-11-13-16(8-3)20-21(25)18(24)14-17(23(26)27)22(20)29-19(12-7-2)15(5)28-9-4/h14-16,19H,6,8-11,13,25H2,1-5H3,(H2,26,27)