[1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propyl] cyclohexanecarboxylate

Systemtic Name: [1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propyl] cyclohexanecarboxylate Openeye Name: [1-(2,3-dihydrobenzothiophen-5-yl)-2-(4-phenylbutylamino)propyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propyl] ester IUPAC Name: [1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [1-(2,3-dihydrobenzothiophen-5-yl)-2-(4-phenylbutylamino)propyl] ester Formula: C28H37NO2S MolecularWeight: 451.66388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC2=C(C=C1)SCC2)OC(=O)C3CCCCC3)NCCCCC4=CC=CC=C4

Isomeric SMILES

CC(C(C1=CC2=C(C=C1)SCC2)OC(=O)C3CCCCC3)NCCCCC4=CC=CC=C4

InChI

InChI=1S/C28H37NO2S/c1-21(29-18-9-8-12-22-10-4-2-5-11-22)27(31-28(30)23-13-6-3-7-14-23)25-15-16-26-24(20-25)17-19-32-26/h2,4-5,10-11,15-16,20-21,23,27,29H,3,6-9,12-14,17-19H2,1H3