1-[(E)-2-(3,4-dimethoxyphenyl)but-1-enyl]adamantane

Systemtic Name: 1-[(E)-2-(3,4-dimethoxyphenyl)but-1-enyl]adamantane Openeye Name: 1-[(E)-2-(3,4-dimethoxyphenyl)but-1-enyl]adamantane CAS Name: 1-[(E)-2-(3,4-dimethoxyphenyl)but-1-enyl]adamantane IUPAC Name: 1-[(E)-2-(3,4-dimethoxyphenyl)but-1-enyl]adamantane Traditional Name: 1-[(E)-2-(3,4-dimethoxyphenyl)but-1-enyl]adamantane Formula: C22H30O2 MolecularWeight: 326.4724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC12CC3CC(C1)CC(C3)C2)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC/C(=C\C12CC3CC(C1)CC(C3)C2)/C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H30O2/c1-4-18(19-5-6-20(23-2)21(10-19)24-3)14-22-11-15-7-16(12-22)9-17(8-15)13-22/h5-6,10,14-17H,4,7-9,11-13H2,1-3H3/b18-14+