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phenacyl 3-azanyl-5-(octadecanoylamino)benzoate

phenacyl 3-azanyl-5-(octadecanoylamino)benzoate

Systemtic Name:phenacyl 3-azanyl-5-(octadecanoylamino)benzoate
Openeye Name:phenacyl 3-amino-5-(octadecanoylamino)benzoate
CAS Name:3-amino-5-(1-oxooctadecylamino)benzoic acid phenacyl ester
IUPAC Name:phenacyl 3-amino-5-(octadecanoylamino)benzoate
Traditional Name:3-amino-5-stearamido-benzoic acid phenacyl ester
Formula: C33H48N2O4
MolecularWeight: 536.74522
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=CC(=C1)N)C(=O)OCC(=O)C2=CC=CC=C2


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=CC(=C1)N)C(=O)OCC(=O)C2=CC=CC=C2


InChI

InChI=1S/C33H48N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(37)35-30-24-28(23-29(34)25-30)33(38)39-26-31(36)27-20-17-16-18-21-27/h16-18,20-21,23-25H,2-15,19,22,26,34H2,1H3,(H,35,37)


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