methyl 3-[4-[3-(1-adamantyl)-4-methoxy-phenyl]phenyl]prop-2-ynoate

Systemtic Name: methyl 3-[4-[3-(1-adamantyl)-4-methoxy-phenyl]phenyl]prop-2-ynoate Openeye Name: methyl 3-[4-[3-(1-adamantyl)-4-methoxy-phenyl]phenyl]prop-2-ynoate CAS Name: 3-[4-[3-(1-adamantyl)-4-methoxyphenyl]phenyl]-2-propynoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(1-adamantyl)-4-methoxyphenyl]phenyl]prop-2-ynoate Traditional Name: 3-[4-[3-(1-adamantyl)-4-methoxy-phenyl]phenyl]propiolic acid methyl ester Formula: C27H28O3 MolecularWeight: 400.50942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28O3/c1-29-25-9-8-23(22-6-3-18(4-7-22)5-10-26(28)30-2)14-24(25)27-15-19-11-20(16-27)13-21(12-19)17-27/h3-4,6-9,14,19-21H,11-13,15-17H2,1-2H3