[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C27H31NO5/c1-31-21-8-9-23(32-2)22(11-21)28-24(29)16-33-25(30)27-14-18-10-19(15-27)13-26(12-18,17-27)20-6-4-3-5-7-20/h3-9,11,18-19H,10,12-17H2,1-2H3,(H,28,29)