4-[6-ethynyl-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophen-2-yl]-3-methyl-phenol

Systemtic Name: 4-[6-ethynyl-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophen-2-yl]-3-methyl-phenol Openeye Name: 4-[6-ethynyl-3-[[4-[3-(1-piperidyl)propoxy]phenyl]methyl]benzothiophen-2-yl]-3-methyl-phenol CAS Name: 4-[6-ethynyl-3-[[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1-benzothiophen-2-yl]-3-methylphenol IUPAC Name: 4-[6-ethynyl-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophen-2-yl]-3-methylphenol Traditional Name: 4-[6-ethynyl-3-[4-(3-piperidinopropoxy)benzyl]benzothiophen-2-yl]-3-methyl-phenol Formula: C32H33NO2S MolecularWeight: 495.67492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)C2=C(C3=C(S2)C=C(C=C3)C#C)CC4=CC=C(C=C4)OCCCN5CCCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)O)C2=C(C3=C(S2)C=C(C=C3)C#C)CC4=CC=C(C=C4)OCCCN5CCCCC5

InChI

InChI=1S/C32H33NO2S/c1-3-24-10-14-29-30(32(36-31(29)22-24)28-15-11-26(34)20-23(28)2)21-25-8-12-27(13-9-25)35-19-7-18-33-16-5-4-6-17-33/h1,8-15,20,22,34H,4-7,16-19,21H2,2H3