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(phenylmethyl) 12-(1-adamantylcarbamoylamino)dodecanoate

(phenylmethyl) 12-(1-adamantylcarbamoylamino)dodecanoate

Systemtic Name:(phenylmethyl) 12-(1-adamantylcarbamoylamino)dodecanoate
Openeye Name:benzyl 12-(1-adamantylcarbamoylamino)dodecanoate
CAS Name:12-[[(1-adamantylamino)-oxomethyl]amino]dodecanoic acid (phenylmethyl) ester
IUPAC Name:benzyl 12-(1-adamantylcarbamoylamino)dodecanoate
Traditional Name:12-(1-adamantylcarbamoylamino)lauric acid benzyl ester
Formula: C30H46N2O3
MolecularWeight: 482.69784
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCCCCCCCC(=O)OCC4=CC=CC=C4


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCCCCCCCC(=O)OCC4=CC=CC=C4


InChI

InChI=1S/C30H46N2O3/c33-28(35-23-24-13-9-8-10-14-24)15-11-6-4-2-1-3-5-7-12-16-31-29(34)32-30-20-25-17-26(21-30)19-27(18-25)22-30/h8-10,13-14,25-27H,1-7,11-12,15-23H2,(H2,31,32,34)


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