[2-[2-(octadecylamino)-2-oxidanylidene-ethyl]phenyl]methyl 4-methylpiperazine-1-carboxylate

Systemtic Name: [2-[2-(octadecylamino)-2-oxidanylidene-ethyl]phenyl]methyl 4-methylpiperazine-1-carboxylate Openeye Name: [2-[2-(octadecylamino)-2-oxo-ethyl]phenyl]methyl 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic acid [2-[2-(octadecylamino)-2-oxoethyl]phenyl]methyl ester IUPAC Name: [2-[2-(octadecylamino)-2-oxoethyl]phenyl]methyl 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [2-[2-keto-2-(stearylamino)ethyl]benzyl] ester Formula: C33H57N3O3 MolecularWeight: 543.82398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CC1=CC=CC=C1COC(=O)N2CCN(CC2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CC1=CC=CC=C1COC(=O)N2CCN(CC2)C

InChI

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