methyl 4-[2-(1-adamantylamino)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1-adamantylamino)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1-adamantylamino)acetyl]amino]benzoate CAS Name: 4-[[2-(1-adamantylamino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-adamantylamino)acetyl]amino]benzoate Traditional Name: 4-[[2-(1-adamantylamino)acetyl]amino]benzoic acid methyl ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CNC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CNC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N2O3/c1-25-19(24)16-2-4-17(5-3-16)22-18(23)12-21-20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15,21H,6-12H2,1H3,(H,22,23)