4-(diethylamino)but-2-ynyl 2-phenylethanoate hydrochloride

Systemtic Name: 4-(diethylamino)but-2-ynyl 2-phenylethanoate hydrochloride Openeye Name: 4-(diethylamino)but-2-ynyl 2-phenylacetate hydrochloride CAS Name: 2-phenylacetic acid 4-(diethylamino)but-2-ynyl ester hydrochloride IUPAC Name: 4-(diethylamino)but-2-ynyl 2-phenylacetate hydrochloride Traditional Name: 2-phenylacetic acid 4-(diethylamino)but-2-ynyl ester hydrochloride Formula: C32H43ClN2O4 MolecularWeight: 555.14782

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCOC(=O)CC1=CC=CC=C1.CCN(CC)CC#CCOC(=O)CC1=CC=CC=C1.Cl

Isomeric SMILES

CCN(CC)CC#CCOC(=O)CC1=CC=CC=C1.CCN(CC)CC#CCOC(=O)CC1=CC=CC=C1.Cl

InChI

InChI=1S/2C16H21NO2.ClH/c2*1-3-17(4-2)12-8-9-13-19-16(18)14-15-10-6-5-7-11-15;/h2*5-7,10-11H,3-4,12-14H2,1-2H3;1H