1-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-(hydroxymethyl)-4-oxidanyl-cyclohexane-1-carbonitrile

Systemtic Name: 1-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-(hydroxymethyl)-4-oxidanyl-cyclohexane-1-carbonitrile Openeye Name: 1-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-hydroxy-4-(hydroxymethyl)cyclohexanecarbonitrile CAS Name: 1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-hydroxy-4-(hydroxymethyl)-1-cyclohexanecarbonitrile IUPAC Name: 1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-hydroxy-4-(hydroxymethyl)cyclohexane-1-carbonitrile Traditional Name: 1-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-hydroxy-4-methylol-cyclohexanecarbonitrile Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)(CO)O)C#N)OCC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)(CO)O)C#N)OCC3CC3

InChI

InChI=1S/C19H25NO4/c1-23-16-5-4-15(10-17(16)24-11-14-2-3-14)18(12-20)6-8-19(22,13-21)9-7-18/h4-5,10,14,21-22H,2-3,6-9,11,13H2,1H3