[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO6/c1-28-18-4-3-15(8-19(18)29-2)5-6-24-20(25)13-30-21(26)22-9-16-7-17(10-22)12-23(27,11-16)14-22/h3-4,8,16-17,27H,5-7,9-14H2,1-2H3,(H,24,25)