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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(OC)OC1=C(C=C(C=C1)C#CCC(=O)OC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(OC)OC1=C(C=C(C=C1)C#CCC(=O)OC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

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