1-(1-adamantyl)-3-[[(2R)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]urea

Systemtic Name: 1-(1-adamantyl)-3-[[(2R)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]urea Openeye Name: 1-(1-adamantyl)-3-[[(2R)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]urea CAS Name: 1-(1-adamantyl)-3-[[(2R)-2-(1,3-benzodioxol-5-yloxy)-1-oxopropyl]amino]urea IUPAC Name: 1-(1-adamantyl)-3-[[(2R)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]urea Traditional Name: 1-(1-adamantyl)-3-[[(2R)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]urea Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@H](C(=O)NNC(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H27N3O5/c1-12(29-16-2-3-17-18(7-16)28-11-27-17)19(25)23-24-20(26)22-21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,12-15H,4-6,8-11H2,1H3,(H,23,25)(H2,22,24,26)/t12-,13?,14?,15?,21?/m1/s1