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

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

CC(C(=O)OCC(=O)NC1=CC=C(C=C1)N(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)N(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H33N3O4/c1-15(25-23(30)24-11-16-8-17(12-24)10-18(9-16)13-24)22(29)31-14-21(28)26-19-4-6-20(7-5-19)27(2)3/h4-7,15-18H,8-14H2,1-3H3,(H,25,30)(H,26,28)/t15-,16?,17?,18?,24?/m0/s1