ethyl 4-[[2-(1-adamantyl)pyridin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-(1-adamantyl)pyridin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(1-adamantyl)pyridine-4-carbonyl]amino]benzoate CAS Name: 4-[[[2-(1-adamantyl)-4-pyridinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-adamantyl)pyridine-4-carbonyl]amino]benzoate Traditional Name: 4-[[2-(1-adamantyl)isonicotinoyl]amino]benzoic acid ethyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28N2O3/c1-2-30-24(29)19-3-5-21(6-4-19)27-23(28)20-7-8-26-22(12-20)25-13-16-9-17(14-25)11-18(10-16)15-25/h3-8,12,16-18H,2,9-11,13-15H2,1H3,(H,27,28)