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

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H33N3O4/c1-27(2)20-5-3-19(4-6-20)26-21(28)15-31-22(29)7-8-25-23(30)24-12-16-9-17(13-24)11-18(10-16)14-24/h3-6,16-18H,7-15H2,1-2H3,(H,25,30)(H,26,28)