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

Systemtic Name: methyl 4-[4-[(1-adamantylcarbamoylamino)methyl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[(1-adamantylcarbamoylamino)methyl]piperidine-1-carbonyl]benzoate CAS Name: 4-[[4-[[[(1-adamantylamino)-oxomethyl]amino]methyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(1-adamantylcarbamoylamino)methyl]piperidine-1-carbonyl]benzoate Traditional Name: 4-[4-[(1-adamantylcarbamoylamino)methyl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4/c1-33-24(31)22-4-2-21(3-5-22)23(30)29-8-6-17(7-9-29)16-27-25(32)28-26-13-18-10-19(14-26)12-20(11-18)15-26/h2-5,17-20H,6-16H2,1H3,(H2,27,28,32)