3-(6-ethanoyl-3-methoxy-1-oxidanyl-2-propyl-cyclohexa-2,4-dien-1-yl)propanenitrile

Systemtic Name: 3-(6-ethanoyl-3-methoxy-1-oxidanyl-2-propyl-cyclohexa-2,4-dien-1-yl)propanenitrile Openeye Name: 3-(6-acetyl-1-hydroxy-3-methoxy-2-propyl-cyclohexa-2,4-dien-1-yl)propanenitrile CAS Name: 3-(6-acetyl-1-hydroxy-3-methoxy-2-propyl-1-cyclohexa-2,4-dienyl)propanenitrile IUPAC Name: 3-(6-acetyl-1-hydroxy-3-methoxy-2-propylcyclohexa-2,4-dien-1-yl)propanenitrile Traditional Name: 3-(6-acetyl-1-hydroxy-3-methoxy-2-propyl-cyclohexa-2,4-dien-1-yl)propionitrile Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(C1(CCC#N)O)C(=O)C)OC

Isomeric SMILES

CCCC1=C(C=CC(C1(CCC#N)O)C(=O)C)OC

InChI

InChI=1S/C15H21NO3/c1-4-6-13-14(19-3)8-7-12(11(2)17)15(13,18)9-5-10-16/h7-8,12,18H,4-6,9H2,1-3H3