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

Systemtic Name: [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-keto-ethyl] ester Formula: C25H35NO5 MolecularWeight: 429.5491

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)OCC

InChI

InChI=1S/C25H35NO5/c1-3-29-21-6-5-16(14-22(21)30-4-2)7-8-26-23(27)15-31-25(28)24-19-10-17-9-18(12-19)13-20(24)11-17/h5-6,14,17-20,24H,3-4,7-13,15H2,1-2H3,(H,26,27)