[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=CC=C1C#N)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1C#N)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H27N3O4/c1-14(21(28)30-13-20(27)26-19-5-3-2-4-18(19)12-24)25-22(29)23-9-15-6-16(10-23)8-17(7-15)11-23/h2-5,14-17H,6-11,13H2,1H3,(H,25,29)(H,26,27)/t14-,15?,16?,17?,23?/m0/s1