phenyl 8-(3-azanylpentan-3-yl)tetracosanoate

Systemtic Name: phenyl 8-(3-azanylpentan-3-yl)tetracosanoate Openeye Name: phenyl 8-(1-amino-1-ethyl-propyl)tetracosanoate CAS Name: 8-(3-aminopentan-3-yl)tetracosanoic acid phenyl ester IUPAC Name: phenyl 8-(3-aminopentan-3-yl)tetracosanoate Traditional Name: 8-(1-amino-1-ethyl-propyl)lignoceric acid phenyl ester Formula: C35H63NO2 MolecularWeight: 529.88022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCC(=O)OC1=CC=CC=C1)C(CC)(CC)N

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCC(=O)OC1=CC=CC=C1)C(CC)(CC)N

InChI

InChI=1S/C35H63NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-27-32(35(36,5-2)6-3)28-23-19-20-26-31-34(37)38-33-29-24-21-25-30-33/h21,24-25,29-30,32H,4-20,22-23,26-28,31,36H2,1-3H3