[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-ethoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]benzoate CAS Name: 3-ethoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-keto-2-piperidino-ethoxy)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C28H37NO6 MolecularWeight: 483.59648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OCC(=O)N5CCCCC5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OCC(=O)N5CCCCC5

InChI

InChI=1S/C28H37NO6/c1-2-33-24-13-22(6-7-23(24)34-18-26(31)29-8-4-3-5-9-29)27(32)35-17-25(30)28-14-19-10-20(15-28)12-21(11-19)16-28/h6-7,13,19-21H,2-5,8-12,14-18H2,1H3