ethyl 4-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(2-adamantyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-adamantyl)piperazino]acetyl]amino]benzoic acid ethyl ester Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C25H35N3O3/c1-2-31-25(30)19-3-5-22(6-4-19)26-23(29)16-27-7-9-28(10-8-27)24-20-12-17-11-18(14-20)15-21(24)13-17/h3-6,17-18,20-21,24H,2,7-16H2,1H3,(H,26,29)