3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-oxidanyl-3-pyridin-3-yl-propanenitrile

Systemtic Name: 3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-oxidanyl-3-pyridin-3-yl-propanenitrile Openeye Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-hydroxy-3-(3-pyridyl)propanenitrile CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-(3-pyridinyl)propanenitrile IUPAC Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-pyridin-3-ylpropanenitrile Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-hydroxy-3-(3-pyridyl)propionitrile Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-24-18-9-8-15(13-19(18)25-17-6-2-3-7-17)20(23,10-11-21)16-5-4-12-22-14-16/h4-5,8-9,12-14,17,23H,2-3,6-7,10H2,1H3