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

Systemtic Name: [2-[[4-(diethylamino)phenyl]amino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-[4-(diethylamino)anilino]-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-[4-(diethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-[4-(diethylamino)anilino]-2-keto-ethyl] ester Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O4/c1-3-28(4-2)21-7-5-20(6-8-21)27-22(29)16-32-23(30)15-26-24(31)25-12-17-9-18(13-25)11-19(10-17)14-25/h5-8,17-19H,3-4,9-16H2,1-2H3,(H,26,31)(H,27,29)