[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CCCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H31N3O4/c29-22(27-24(31)28-25-11-16-8-17(12-25)10-18(9-16)13-25)15-32-23(30)7-3-4-19-14-26-21-6-2-1-5-20(19)21/h1-2,5-6,14,16-18,26H,3-4,7-13,15H2,(H2,27,28,29,31)