N-[1-[5-methoxy-2-(2-phenylethynyl)phenyl]propan-2-yl]-N-methyl-4-phenyl-butan-1-amine hydrochloride

Systemtic Name: N-[1-[5-methoxy-2-(2-phenylethynyl)phenyl]propan-2-yl]-N-methyl-4-phenyl-butan-1-amine hydrochloride Openeye Name: N-[2-[5-methoxy-2-(2-phenylethynyl)phenyl]-1-methyl-ethyl]-N-methyl-4-phenyl-butan-1-amine hydrochloride CAS Name: N-[1-[5-methoxy-2-(2-phenylethynyl)phenyl]propan-2-yl]-N-methyl-4-phenyl-1-butanamine hydrochloride IUPAC Name: N-[1-[5-methoxy-2-(2-phenylethynyl)phenyl]propan-2-yl]-N-methyl-4-phenylbutan-1-amine hydrochloride Traditional Name: [2-[5-methoxy-2-(2-phenylethynyl)phenyl]-1-methyl-ethyl]-methyl-(4-phenylbutyl)amine hydrochloride Formula: C29H34ClNO MolecularWeight: 448.03936

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=CC(=C1)OC)C#CC2=CC=CC=C2)N(C)CCCCC3=CC=CC=C3.Cl

Isomeric SMILES

CC(CC1=C(C=CC(=C1)OC)C#CC2=CC=CC=C2)N(C)CCCCC3=CC=CC=C3.Cl

InChI

InChI=1S/C29H33NO.ClH/c1-24(30(2)21-11-10-16-25-12-6-4-7-13-25)22-28-23-29(31-3)20-19-27(28)18-17-26-14-8-5-9-15-26;/h4-9,12-15,19-20,23-24H,10-11,16,21-22H2,1-3H3;1H