[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C28H33NO6 MolecularWeight: 479.56472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC5=C(C=C(C=C5)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC5=C(C=C(C=C5)OC)OC

InChI

InChI=1S/C28H33NO6/c1-32-21-6-4-20(5-7-21)27-12-18-10-19(13-27)15-28(14-18,17-27)26(31)35-16-25(30)29-23-9-8-22(33-2)11-24(23)34-3/h4-9,11,18-19H,10,12-17H2,1-3H3,(H,29,30)