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2-methylpropyl 12-(1-adamantylcarbamoylamino)dodecanoate

2-methylpropyl 12-(1-adamantylcarbamoylamino)dodecanoate

Systemtic Name:2-methylpropyl 12-(1-adamantylcarbamoylamino)dodecanoate
Openeye Name:isobutyl 12-(1-adamantylcarbamoylamino)dodecanoate
CAS Name:12-[[(1-adamantylamino)-oxomethyl]amino]dodecanoic acid 2-methylpropyl ester
IUPAC Name:2-methylpropyl 12-(1-adamantylcarbamoylamino)dodecanoate
Traditional Name:12-(1-adamantylcarbamoylamino)lauric acid isobutyl ester
Formula: C27H48N2O3
MolecularWeight: 448.68162
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(C1)CC(C3)C2


Isomeric SMILES

CC(C)COC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(C1)CC(C3)C2


InChI

InChI=1S/C27H48N2O3/c1-21(2)20-32-25(30)12-10-8-6-4-3-5-7-9-11-13-28-26(31)29-27-17-22-14-23(18-27)16-24(15-22)19-27/h21-24H,3-20H2,1-2H3,(H2,28,29,31)


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