(phenylmethyl) 4-methyl-2-(octadecylamino)-2-(2-oxidanylideneethyl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-methyl-2-(octadecylamino)-2-(2-oxidanylideneethyl)piperazine-1-carboxylate Openeye Name: benzyl 4-methyl-2-(octadecylamino)-2-(2-oxoethyl)piperazine-1-carboxylate CAS Name: 4-methyl-2-(octadecylamino)-2-(2-oxoethyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-(octadecylamino)-2-(2-oxoethyl)piperazine-1-carboxylate Traditional Name: 2-(2-ketoethyl)-4-methyl-2-(stearylamino)piperazine-1-carboxylic acid benzyl ester Formula: C33H57N3O3 MolecularWeight: 543.82398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1(CN(CCN1C(=O)OCC2=CC=CC=C2)C)CC=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1(CN(CCN1C(=O)OCC2=CC=CC=C2)C)CC=O

InChI

InChI=1S/C33H57N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-34-33(24-28-37)30-35(2)26-27-36(33)32(38)39-29-31-22-19-18-20-23-31/h18-20,22-23,28,34H,3-17,21,24-27,29-30H2,1-2H3