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

Systemtic Name: methyl 3-[4-[(1-adamantylcarbamoylamino)methyl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-[(1-adamantylcarbamoylamino)methyl]piperidine-1-carbonyl]benzoate CAS Name: 3-[[4-[[[(1-adamantylamino)-oxomethyl]amino]methyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(1-adamantylcarbamoylamino)methyl]piperidine-1-carbonyl]benzoate Traditional Name: 3-[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=CC(=C1)C(=O)N2CCC(CC2)CNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

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