2-(4-methoxyphenoxy)ethyl 3-(4-methylphenyl)adamantane-1-carboxylate

Systemtic Name: 2-(4-methoxyphenoxy)ethyl 3-(4-methylphenyl)adamantane-1-carboxylate Openeye Name: 2-(4-methoxyphenoxy)ethyl 3-(p-tolyl)adamantane-1-carboxylate CAS Name: 3-(4-methylphenyl)-1-adamantanecarboxylic acid 2-(4-methoxyphenoxy)ethyl ester IUPAC Name: 2-(4-methoxyphenoxy)ethyl 3-(4-methylphenyl)adamantane-1-carboxylate Traditional Name: 3-(p-tolyl)adamantane-1-carboxylic acid 2-(4-methoxyphenoxy)ethyl ester Formula: C27H32O4 MolecularWeight: 420.54058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCCOC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCCOC5=CC=C(C=C5)OC

InChI

InChI=1S/C27H32O4/c1-19-3-5-22(6-4-19)26-14-20-13-21(15-26)17-27(16-20,18-26)25(28)31-12-11-30-24-9-7-23(29-2)8-10-24/h3-10,20-21H,11-18H2,1-2H3