ethynyl 2-[4-(1-adamantyl)-3-[ethoxy(methoxy)methoxy]phenyl]benzoate

Systemtic Name: ethynyl 2-[4-(1-adamantyl)-3-[ethoxy(methoxy)methoxy]phenyl]benzoate Openeye Name: ethynyl 2-[4-(1-adamantyl)-3-[ethoxy(methoxy)methoxy]phenyl]benzoate CAS Name: 2-[4-(1-adamantyl)-3-[ethoxy(methoxy)methoxy]phenyl]benzoic acid ethynyl ester IUPAC Name: ethynyl 2-[4-(1-adamantyl)-3-[ethoxy(methoxy)methoxy]phenyl]benzoate Traditional Name: 2-[4-(1-adamantyl)-3-[ethoxy(methoxy)methoxy]phenyl]benzoic acid ethynyl ester Formula: C29H32O5 MolecularWeight: 460.56138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(OC)OC1=C(C=CC(=C1)C2=CC=CC=C2C(=O)OC#C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(OC)OC1=C(C=CC(=C1)C2=CC=CC=C2C(=O)OC#C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H32O5/c1-4-32-27(30)24-9-7-6-8-23(24)22-10-11-25(26(15-22)34-28(31-3)33-5-2)29-16-19-12-20(17-29)14-21(13-19)18-29/h1,6-11,15,19-21,28H,5,12-14,16-18H2,2-3H3