ethyl (2E,4E,6E)-7-[3-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-octa-2,4,6-trienoate

Systemtic Name: ethyl (2E,4E,6E)-7-[3-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-octa-2,4,6-trienoate Openeye Name: ethyl (2E,4E,6E)-7-[3-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-octa-2,4,6-trienoate CAS Name: (2E,4E,6E)-7-[3-(1-adamantyl)-4-methoxyphenyl]-3-methylocta-2,4,6-trienoic acid ethyl ester IUPAC Name: ethyl (2E,4E,6E)-7-[3-(1-adamantyl)-4-methoxyphenyl]-3-methylocta-2,4,6-trienoate Traditional Name: (2E,4E,6E)-7-[3-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-octa-2,4,6-trienoic acid ethyl ester Formula: C28H36O3 MolecularWeight: 420.58364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)C=CC=C(C)C1=CC(=C(C=C1)OC)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)/C=C(\C)/C=C/C=C(\C)/C1=CC(=C(C=C1)OC)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C28H36O3/c1-5-31-27(29)11-19(2)7-6-8-20(3)24-9-10-26(30-4)25(15-24)28-16-21-12-22(17-28)14-23(13-21)18-28/h6-11,15,21-23H,5,12-14,16-18H2,1-4H3/b7-6+,19-11+,20-8+