methyl 3-[4-(1-adamantylcarbamoylamino)piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[4-(1-adamantylcarbamoylamino)piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-(1-adamantylcarbamoylamino)piperidine-1-carbonyl]benzoate CAS Name: 3-[[4-[[(1-adamantylamino)-oxomethyl]amino]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(1-adamantylcarbamoylamino)piperidine-1-carbonyl]benzoate Traditional Name: 3-[4-(1-adamantylcarbamoylamino)piperidine-1-carbonyl]benzoic acid methyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

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