[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H28N4O4/c24-13-15-2-1-3-19(9-15)26-20(28)14-31-21(29)4-5-25-22(30)27-23-10-16-6-17(11-23)8-18(7-16)12-23/h1-3,9,16-18H,4-8,10-12,14H2,(H,26,28)(H2,25,27,30)