4-azanyl-5-chloranyl-3-nonyl-2-pent-3-yn-2-yloxy-benzamide hydrochloride

Systemtic Name: 4-azanyl-5-chloranyl-3-nonyl-2-pent-3-yn-2-yloxy-benzamide hydrochloride Openeye Name: 4-amino-5-chloro-2-(1-methylbut-2-ynoxy)-3-nonyl-benzamide hydrochloride CAS Name: 4-amino-5-chloro-3-nonyl-2-pent-3-yn-2-yloxybenzamide hydrochloride IUPAC Name: 4-amino-5-chloro-3-nonyl-2-pent-3-yn-2-yloxybenzamide hydrochloride Traditional Name: 4-amino-5-chloro-2-(1-methylbut-2-ynoxy)-3-nonyl-benzamide hydrochloride Formula: C21H32Cl2N2O2 MolecularWeight: 415.39698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=CC(=C1N)Cl)C(=O)N)OC(C)C#CC.Cl

Isomeric SMILES

CCCCCCCCCC1=C(C(=CC(=C1N)Cl)C(=O)N)OC(C)C#CC.Cl

InChI

InChI=1S/C21H31ClN2O2.ClH/c1-4-6-7-8-9-10-11-13-16-19(23)18(22)14-17(21(24)25)20(16)26-15(3)12-5-2;/h14-15H,4,6-11,13,23H2,1-3H3,(H2,24,25);1H