3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-oxidanyl-3-thiophen-2-yl-propanenitrile

Systemtic Name: 3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-oxidanyl-3-thiophen-2-yl-propanenitrile Openeye Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-hydroxy-3-(2-thienyl)propanenitrile CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-thiophen-2-ylpropanenitrile IUPAC Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-thiophen-2-ylpropanenitrile Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-hydroxy-3-(2-thienyl)propionitrile Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC#N)(C2=CC=CS2)O)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC#N)(C2=CC=CS2)O)OC3CCCC3

InChI

InChI=1S/C19H21NO3S/c1-22-16-9-8-14(13-17(16)23-15-5-2-3-6-15)19(21,10-11-20)18-7-4-12-24-18/h4,7-9,12-13,15,21H,2-3,5-6,10H2,1H3