[1-[(5-azanyl-1-oxidanyl-pentan-2-yl)amino]-1-oxidanylidene-tetradecan-3-yl] dodecanoate

Systemtic Name: [1-[(5-azanyl-1-oxidanyl-pentan-2-yl)amino]-1-oxidanylidene-tetradecan-3-yl] dodecanoate Openeye Name: 1-[2-[[4-amino-1-(hydroxymethyl)butyl]amino]-2-oxo-ethyl]dodecyl dodecanoate CAS Name: dodecanoic acid [1-[(5-amino-1-hydroxypentan-2-yl)amino]-1-oxotetradecan-3-yl] ester IUPAC Name: [1-[(5-amino-1-hydroxypentan-2-yl)amino]-1-oxotetradecan-3-yl] dodecanoate Traditional Name: lauric acid 1-[2-[(4-amino-1-methylol-butyl)amino]-2-keto-ethyl]dodecyl ester Formula: C31H62N2O4 MolecularWeight: 526.83498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)NC(CCCN)CO)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(CC(=O)NC(CCCN)CO)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C31H62N2O4/c1-3-5-7-9-11-13-15-17-19-23-29(26-30(35)33-28(27-34)22-21-25-32)37-31(36)24-20-18-16-14-12-10-8-6-4-2/h28-29,34H,3-27,32H2,1-2H3,(H,33,35)