1-[5-(cyclopropylmethoxy)-5-methoxy-cyclohexa-1,3-dien-1-yl]-4-(hydroxymethyl)-4-oxidanyl-cyclohexane-1-carbonitrile

Systemtic Name: 1-[5-(cyclopropylmethoxy)-5-methoxy-cyclohexa-1,3-dien-1-yl]-4-(hydroxymethyl)-4-oxidanyl-cyclohexane-1-carbonitrile Openeye Name: 1-[5-(cyclopropylmethoxy)-5-methoxy-cyclohexa-1,3-dien-1-yl]-4-hydroxy-4-(hydroxymethyl)cyclohexanecarbonitrile CAS Name: 1-[5-(cyclopropylmethoxy)-5-methoxy-1-cyclohexa-1,3-dienyl]-4-hydroxy-4-(hydroxymethyl)-1-cyclohexanecarbonitrile IUPAC Name: 1-[5-(cyclopropylmethoxy)-5-methoxycyclohexa-1,3-dien-1-yl]-4-hydroxy-4-(hydroxymethyl)cyclohexane-1-carbonitrile Traditional Name: 1-[5-(cyclopropylmethoxy)-5-methoxy-cyclohexa-1,3-dien-1-yl]-4-hydroxy-4-methylol-cyclohexanecarbonitrile Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4/c1-23-19(24-12-15-4-5-15)6-2-3-16(11-19)17(13-20)7-9-18(22,14-21)10-8-17/h2-3,6,15,21-22H,4-5,7-12,14H2,1H3