[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33NO4/c1-18-5-4-6-19(2)25(18)29-24(30)16-33-26(31)28-14-20-11-21(15-28)13-27(12-20,17-28)22-7-9-23(32-3)10-8-22/h4-10,20-21H,11-17H2,1-3H3,(H,29,30)