3-[5-methoxy-2-(2-phenylethynyl)phenyl]-N-methyl-N-phenethyl-propan-1-amine hydrochloride

Systemtic Name: 3-[5-methoxy-2-(2-phenylethynyl)phenyl]-N-methyl-N-phenethyl-propan-1-amine hydrochloride Openeye Name: 3-[5-methoxy-2-(2-phenylethynyl)phenyl]-N-methyl-N-phenethyl-propan-1-amine hydrochloride CAS Name: 3-[5-methoxy-2-(2-phenylethynyl)phenyl]-N-methyl-N-phenethyl-1-propanamine hydrochloride IUPAC Name: 3-[5-methoxy-2-(2-phenylethynyl)phenyl]-N-methyl-N-phenethylpropan-1-amine hydrochloride Traditional Name: 3-[5-methoxy-2-(2-phenylethynyl)phenyl]propyl-methyl-phenethyl-amine hydrochloride Formula: C27H30ClNO MolecularWeight: 419.9862

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=C(C=CC(=C1)OC)C#CC2=CC=CC=C2)CCC3=CC=CC=C3.Cl

Isomeric SMILES

CN(CCCC1=C(C=CC(=C1)OC)C#CC2=CC=CC=C2)CCC3=CC=CC=C3.Cl

InChI

InChI=1S/C27H29NO.ClH/c1-28(21-19-24-12-7-4-8-13-24)20-9-14-26-22-27(29-2)18-17-25(26)16-15-23-10-5-3-6-11-23;/h3-8,10-13,17-18,22H,9,14,19-21H2,1-2H3;1H