2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]-4-phenyl-but-3-ynoic acid

Systemtic Name: 2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]-4-phenyl-but-3-ynoic acid Openeye Name: 2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]-4-phenyl-but-3-ynoic acid CAS Name: 2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]-4-phenyl-3-butynoic acid IUPAC Name: 2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]-4-phenylbut-3-ynoic acid Traditional Name: 2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]-4-phenyl-but-3-ynoic acid Formula: C30H34O5 MolecularWeight: 474.58796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34O5/c1-3-34-29(33-2)35-27-12-10-24(25(28(31)32)11-9-20-7-5-4-6-8-20)16-26(27)30-17-21-13-22(18-30)15-23(14-21)19-30/h4-8,10,12,16,21-23,25,29H,3,13-15,17-19H2,1-2H3,(H,31,32)