propyl 1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)cyclohexane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1(CCCCC1NCCCCC2=CC=CC=C2)C3=CC4=C(C=C3)SCC4

Isomeric SMILES

CCCOC(=O)C1(CCCCC1NCCCCC2=CC=CC=C2)C3=CC4=C(C=C3)SCC4

InChI

InChI=1S/C28H37NO2S/c1-2-19-31-27(30)28(24-14-15-25-23(21-24)16-20-32-25)17-8-6-13-26(28)29-18-9-7-12-22-10-4-3-5-11-22/h3-5,10-11,14-15,21,26,29H,2,6-9,12-13,16-20H2,1H3