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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)OC

InChI

InChI=1S/C23H31NO5/c1-27-19-4-3-14(12-20(19)28-2)5-6-24-21(25)13-29-23(26)22-17-8-15-7-16(10-17)11-18(22)9-15/h3-4,12,15-18,22H,5-11,13H2,1-2H3,(H,24,25)