[3-methyl-4-(5-morpholin-4-ylpenta-1,3-diynyl)phenyl] benzoate hydrochloride

Systemtic Name: [3-methyl-4-(5-morpholin-4-ylpenta-1,3-diynyl)phenyl] benzoate hydrochloride Openeye Name: [3-methyl-4-(5-morpholinopenta-1,3-diynyl)phenyl] benzoate hydrochloride CAS Name: benzoic acid [3-methyl-4-[5-(4-morpholinyl)penta-1,3-diynyl]phenyl] ester hydrochloride IUPAC Name: [3-methyl-4-(5-morpholin-4-ylpenta-1,3-diynyl)phenyl] benzoate hydrochloride Traditional Name: benzoic acid [3-methyl-4-(5-morpholinopenta-1,3-diynyl)phenyl] ester hydrochloride Formula: C23H22ClNO3 MolecularWeight: 395.87868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2)C#CC#CCN3CCOCC3.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2)C#CC#CCN3CCOCC3.Cl

InChI

InChI=1S/C23H21NO3.ClH/c1-19-18-22(27-23(25)21-9-4-2-5-10-21)12-11-20(19)8-6-3-7-13-24-14-16-26-17-15-24;/h2,4-5,9-12,18H,13-17H2,1H3;1H