[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c25-7-5-16-1-3-20(4-2-16)27-21(28)15-31-22(29)6-8-26-23(30)24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,17-19H,5-6,8-15H2,(H,26,30)(H,27,28)