[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-benzamido-3-phenyl-propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-benzamido-3-phenyl-propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-benzamido-3-phenyl-propanoate CAS Name: 3-benzamido-3-phenylpropanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate Traditional Name: 3-benzamido-3-phenyl-propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O4/c31-25(30-28-15-19-11-20(16-28)13-21(12-19)17-28)18-34-26(32)14-24(22-7-3-1-4-8-22)29-27(33)23-9-5-2-6-10-23/h1-10,19-21,24H,11-18H2,(H,29,33)(H,30,31)