methyl 3-[3-azanyl-5,7-bis(3-methoxy-3-oxidanylidene-propyl)-1-adamantyl]propanoate

Systemtic Name: methyl 3-[3-azanyl-5,7-bis(3-methoxy-3-oxidanylidene-propyl)-1-adamantyl]propanoate Openeye Name: methyl 3-[3-amino-5,7-bis(3-methoxy-3-oxo-propyl)-1-adamantyl]propanoate CAS Name: 3-[3-amino-5,7-bis(3-methoxy-3-oxopropyl)-1-adamantyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-amino-5,7-bis(3-methoxy-3-oxopropyl)-1-adamantyl]propanoate Traditional Name: 3-[3-amino-5,7-bis(3-keto-3-methoxy-propyl)-1-adamantyl]propionic acid methyl ester Formula: C22H35NO6 MolecularWeight: 409.5164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC12CC3(CC(C1)(CC(C2)(C3)N)CCC(=O)OC)CCC(=O)OC

Isomeric SMILES

COC(=O)CCC12CC3(CC(C1)(CC(C2)(C3)N)CCC(=O)OC)CCC(=O)OC

InChI

InChI=1S/C22H35NO6/c1-27-16(24)4-7-19-10-20(8-5-17(25)28-2)12-21(11-19,9-6-18(26)29-3)15-22(23,13-19)14-20/h4-15,23H2,1-3H3