[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3,3-diphenylpropanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3,3-diphenylpropanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3,3-diphenylpropanoate CAS Name: 3,3-diphenylpropanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3,3-diphenylpropanoate Traditional Name: 3,3-diphenylpropionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H31NO3/c29-25(28-27-15-19-11-20(16-27)13-21(12-19)17-27)18-31-26(30)14-24(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-10,19-21,24H,11-18H2,(H,28,29)