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

Systemtic Name: 3-[5-methoxy-2-(2-phenylethynyl)phenyl]-N-phenethyl-propan-1-amine Openeye Name: 3-[5-methoxy-2-(2-phenylethynyl)phenyl]-N-phenethyl-propan-1-amine CAS Name: 3-[5-methoxy-2-(2-phenylethynyl)phenyl]-N-phenethyl-1-propanamine IUPAC Name: 3-[5-methoxy-2-(2-phenylethynyl)phenyl]-N-phenethylpropan-1-amine Traditional Name: 3-[5-methoxy-2-(2-phenylethynyl)phenyl]propyl-phenethyl-amine Formula: C26H27NO MolecularWeight: 369.49868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C#CC2=CC=CC=C2)CCCNCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)C#CC2=CC=CC=C2)CCCNCCC3=CC=CC=C3

InChI

InChI=1S/C26H27NO/c1-28-26-17-16-24(15-14-22-9-4-2-5-10-22)25(21-26)13-8-19-27-20-18-23-11-6-3-7-12-23/h2-7,9-12,16-17,21,27H,8,13,18-20H2,1H3