[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C24H32N2O5 MolecularWeight: 428.52128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H32N2O5/c1-2-3-8-30-20-6-4-19(5-7-20)22(28)31-15-21(27)25-23(29)26-24-12-16-9-17(13-24)11-18(10-16)14-24/h4-7,16-18H,2-3,8-15H2,1H3,(H2,25,26,27,29)