methyl 4-[[[4-(1-adamantylcarbonyl)piperazin-1-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-(1-adamantylcarbonyl)piperazin-1-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[4-(adamantane-1-carbonyl)piperazine-1-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(adamantane-1-carbonyl)piperazine-1-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[4-(adamantane-1-carbonyl)piperazine-1-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N3O4/c1-32-22(29)21-4-2-17(3-5-21)16-26-24(31)28-8-6-27(7-9-28)23(30)25-13-18-10-19(14-25)12-20(11-18)15-25/h2-5,18-20H,6-16H2,1H3,(H,26,31)