[3-(hydroxymethyl)-2-[[6-(4-phenylbutoxy)hex-4-ynylamino]methyl]phenyl]methanol

Systemtic Name: [3-(hydroxymethyl)-2-[[6-(4-phenylbutoxy)hex-4-ynylamino]methyl]phenyl]methanol Openeye Name: [3-(hydroxymethyl)-2-[[6-(4-phenylbutoxy)hex-4-ynylamino]methyl]phenyl]methanol CAS Name: [3-(hydroxymethyl)-2-[[6-(4-phenylbutoxy)hex-4-ynylamino]methyl]phenyl]methanol IUPAC Name: [3-(hydroxymethyl)-2-[[6-(4-phenylbutoxy)hex-4-ynylamino]methyl]phenyl]methanol Traditional Name: [3-methylol-2-[[6-(4-phenylbutoxy)hex-4-ynylamino]methyl]phenyl]methanol Formula: C25H33NO3 MolecularWeight: 395.53442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOCC#CCCCNCC2=C(C=CC=C2CO)CO

Isomeric SMILES

C1=CC=C(C=C1)CCCCOCC#CCCCNCC2=C(C=CC=C2CO)CO

InChI

InChI=1S/C25H33NO3/c27-20-23-14-10-15-24(21-28)25(23)19-26-16-7-1-2-8-17-29-18-9-6-13-22-11-4-3-5-12-22/h3-5,10-12,14-15,26-28H,1,6-7,9,13,16-21H2