3-octan-3-yl-2-pent-4-yn-2-yloxy-benzamide hydrochloride

Systemtic Name: 3-octan-3-yl-2-pent-4-yn-2-yloxy-benzamide hydrochloride Openeye Name: 3-(1-ethylhexyl)-2-(1-methylbut-3-ynoxy)benzamide hydrochloride CAS Name: 3-octan-3-yl-2-pent-4-yn-2-yloxybenzamide hydrochloride IUPAC Name: 3-octan-3-yl-2-pent-4-yn-2-yloxybenzamide hydrochloride Traditional Name: 3-(1-ethylhexyl)-2-(1-methylbut-3-ynoxy)benzamide hydrochloride Formula: C20H30ClNO2 MolecularWeight: 351.9107

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=CC=CC(=C1OC(C)CC#C)C(=O)N.Cl

Isomeric SMILES

CCCCCC(CC)C1=CC=CC(=C1OC(C)CC#C)C(=O)N.Cl

InChI

InChI=1S/C20H29NO2.ClH/c1-5-8-9-12-16(7-3)17-13-10-14-18(20(21)22)19(17)23-15(4)11-6-2;/h2,10,13-16H,5,7-9,11-12H2,1,3-4H3,(H2,21,22);1H