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propyl 2-(cyanomethyl)-3-(octadecylcarbamoyloxy)benzoate

propyl 2-(cyanomethyl)-3-(octadecylcarbamoyloxy)benzoate

Systemtic Name:propyl 2-(cyanomethyl)-3-(octadecylcarbamoyloxy)benzoate
Openeye Name:propyl 2-(cyanomethyl)-3-(octadecylcarbamoyloxy)benzoate
CAS Name:2-(cyanomethyl)-3-[(octadecylamino)-oxomethoxy]benzoic acid propyl ester
IUPAC Name:propyl 2-(cyanomethyl)-3-(octadecylcarbamoyloxy)benzoate
Traditional Name:2-(cyanomethyl)-3-(stearylcarbamoyloxy)benzoic acid propyl ester
Formula: C31H50N2O4
MolecularWeight: 514.7397
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OC1=CC=CC(=C1CC#N)C(=O)OCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OC1=CC=CC(=C1CC#N)C(=O)OCCC


InChI

InChI=1S/C31H50N2O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-33-31(35)37-29-22-20-21-28(27(29)23-24-32)30(34)36-26-4-2/h20-22H,3-19,23,25-26H2,1-2H3,(H,33,35)


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