(7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C22H27ClN2O5 MolecularWeight: 434.91318

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=CC5=C(C(=C4)Cl)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=CC5=C(C(=C4)Cl)OCO5

InChI

InChI=1S/C22H27ClN2O5/c23-17-6-16(7-18-20(17)30-12-29-18)11-28-19(26)1-2-24-21(27)25-22-8-13-3-14(9-22)5-15(4-13)10-22/h6-7,13-15H,1-5,8-12H2,(H2,24,25,27)