2-[3-(1-adamantyl)-4-(2-morpholin-4-ylethoxy)phenyl]ethynyl benzoate

Systemtic Name: 2-[3-(1-adamantyl)-4-(2-morpholin-4-ylethoxy)phenyl]ethynyl benzoate Openeye Name: 2-[3-(1-adamantyl)-4-(2-morpholinoethoxy)phenyl]ethynyl benzoate CAS Name: benzoic acid 2-[3-(1-adamantyl)-4-[2-(4-morpholinyl)ethoxy]phenyl]ethynyl ester IUPAC Name: 2-[3-(1-adamantyl)-4-(2-morpholin-4-ylethoxy)phenyl]ethynyl benzoate Traditional Name: benzoic acid 2-[3-(1-adamantyl)-4-(2-morpholinoethoxy)phenyl]ethynyl ester Formula: C31H35NO4 MolecularWeight: 485.6139

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCOC2=C(C=C(C=C2)C#COC(=O)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COCCN1CCOC2=C(C=C(C=C2)C#COC(=O)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H35NO4/c33-30(27-4-2-1-3-5-27)36-12-8-23-6-7-29(35-15-11-32-9-13-34-14-10-32)28(19-23)31-20-24-16-25(21-31)18-26(17-24)22-31/h1-7,19,24-26H,9-11,13-18,20-22H2