[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-phenylbutanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-phenylbutanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c1-2-19(18-6-4-3-5-7-18)21(27)29-14-20(26)24-22(28)25-23-11-15-8-16(12-23)10-17(9-15)13-23/h3-7,15-17,19H,2,8-14H2,1H3,(H2,24,25,26,28)