1-(cyclohexylamino)-3-[4-[(4-methoxyphenyl)-thiophen-2-yl-methyl]phenoxy]propan-2-ol

Systemtic Name: 1-(cyclohexylamino)-3-[4-[(4-methoxyphenyl)-thiophen-2-yl-methyl]phenoxy]propan-2-ol Openeye Name: 1-(cyclohexylamino)-3-[4-[(4-methoxyphenyl)-(2-thienyl)methyl]phenoxy]propan-2-ol CAS Name: 1-(cyclohexylamino)-3-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]-2-propanol IUPAC Name: 1-(cyclohexylamino)-3-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]propan-2-ol Traditional Name: 1-(cyclohexylamino)-3-[4-[(4-methoxyphenyl)-(2-thienyl)methyl]phenoxy]propan-2-ol Formula: C27H33NO3S MolecularWeight: 451.62082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC(CNC3CCCCC3)O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC(CNC3CCCCC3)O)C4=CC=CS4

InChI

InChI=1S/C27H33NO3S/c1-30-24-13-9-20(10-14-24)27(26-8-5-17-32-26)21-11-15-25(16-12-21)31-19-23(29)18-28-22-6-3-2-4-7-22/h5,8-17,22-23,27-29H,2-4,6-7,18-19H2,1H3