2-[[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]methyl]-4-phenyl-but-3-ynoate

Systemtic Name: 2-[[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]methyl]-4-phenyl-but-3-ynoate Openeye Name: 2-[[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]methyl]-4-phenyl-but-3-ynoate CAS Name: 2-[[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]methyl]-4-phenyl-3-butynoate IUPAC Name: 2-[[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]methyl]-4-phenylbut-3-ynoate Traditional Name: 2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]benzyl]-4-phenyl-but-3-ynoate Formula: C31H35O5- MolecularWeight: 487.6066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(OC)OC1=C(C=C(C=C1)CC(C#CC2=CC=CC=C2)C(=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(OC)OC1=C(C=C(C=C1)CC(C#CC2=CC=CC=C2)C(=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H36O5/c1-3-35-30(34-2)36-28-12-10-22(16-26(29(32)33)11-9-21-7-5-4-6-8-21)17-27(28)31-18-23-13-24(19-31)15-25(14-23)20-31/h4-8,10,12,17,23-26,30H,3,13-16,18-20H2,1-2H3,(H,32,33)/p-1