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

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4/c1-26(2)19-5-3-18(4-6-19)25-20(27)14-30-21(28)13-24-22(29)23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,15-17H,7-14H2,1-2H3,(H,24,29)(H,25,27)