methyl 4-[2-[3-(1-adamantyl)-4-(2-methyl-3-oxidanyl-propoxy)phenyl]ethynyl]benzoate

Systemtic Name: methyl 4-[2-[3-(1-adamantyl)-4-(2-methyl-3-oxidanyl-propoxy)phenyl]ethynyl]benzoate Openeye Name: methyl 4-[2-[3-(1-adamantyl)-4-(3-hydroxy-2-methyl-propoxy)phenyl]ethynyl]benzoate CAS Name: 4-[2-[3-(1-adamantyl)-4-(3-hydroxy-2-methylpropoxy)phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(1-adamantyl)-4-(3-hydroxy-2-methylpropoxy)phenyl]ethynyl]benzoate Traditional Name: 4-[2-[3-(1-adamantyl)-4-(3-hydroxy-2-methyl-propoxy)phenyl]ethynyl]benzoic acid methyl ester Formula: C30H34O4 MolecularWeight: 458.58856

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)COC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(CO)COC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H34O4/c1-20(18-31)19-34-28-10-7-22(4-3-21-5-8-26(9-6-21)29(32)33-2)14-27(28)30-15-23-11-24(16-30)13-25(12-23)17-30/h5-10,14,20,23-25,31H,11-13,15-19H2,1-2H3