3-octan-3-yl-2-pent-3-ynoxy-benzamide hydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=CC=CC(=C1OCCC#CC)C(=O)N.Cl

Isomeric SMILES

CCCCCC(CC)C1=CC=CC(=C1OCCC#CC)C(=O)N.Cl

InChI

InChI=1S/C20H29NO2.ClH/c1-4-7-9-12-16(6-3)17-13-11-14-18(20(21)22)19(17)23-15-10-8-5-2;/h11,13-14,16H,4,6-7,9-10,12,15H2,1-3H3,(H2,21,22);1H