methyl 4-[2-[5-(1-adamantyl)-2-methoxy-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoate

Systemtic Name: methyl 4-[2-[5-(1-adamantyl)-2-methoxy-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoate Openeye Name: methyl 4-[2-[5-(1-adamantyl)-2-methoxy-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoate CAS Name: 4-[2-[5-(1-adamantyl)-2-methoxy-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[5-(1-adamantyl)-2-methoxy-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoate Traditional Name: 4-[2-[5-(1-adamantyl)-2-methoxy-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoic acid methyl ester Formula: C31H36O6 MolecularWeight: 504.61394

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=C(C(=C1)OC)C#CC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(OC)OCOC1=C(C=C(C(=C1)OC)C#CC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H36O6/c1-20(33-2)36-19-37-29-15-28(34-3)26(10-7-21-5-8-25(9-6-21)30(32)35-4)14-27(29)31-16-22-11-23(17-31)13-24(12-22)18-31/h5-6,8-9,14-15,20,22-24H,11-13,16-19H2,1-4H3