4-pyrrolidin-1-ylbut-2-ynyl 2-phenylethanoate hydrochloride

Systemtic Name: 4-pyrrolidin-1-ylbut-2-ynyl 2-phenylethanoate hydrochloride Openeye Name: 4-pyrrolidin-1-ylbut-2-ynyl 2-phenylacetate hydrochloride CAS Name: 2-phenylacetic acid 4-(1-pyrrolidinyl)but-2-ynyl ester hydrochloride IUPAC Name: 4-pyrrolidin-1-ylbut-2-ynyl 2-phenylacetate hydrochloride Traditional Name: 2-phenylacetic acid 4-pyrrolidinobut-2-ynyl ester hydrochloride Formula: C32H39ClN2O4 MolecularWeight: 551.11606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CCOC(=O)CC2=CC=CC=C2.C1CCN(C1)CC#CCOC(=O)CC2=CC=CC=C2.Cl

Isomeric SMILES

C1CCN(C1)CC#CCOC(=O)CC2=CC=CC=C2.C1CCN(C1)CC#CCOC(=O)CC2=CC=CC=C2.Cl

InChI

InChI=1S/2C16H19NO2.ClH/c2*18-16(14-15-8-2-1-3-9-15)19-13-7-6-12-17-10-4-5-11-17;/h2*1-3,8-9H,4-5,10-14H2;1H