11-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]undecyl diethyl phosphate

Systemtic Name: 11-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]undecyl diethyl phosphate Openeye Name: 11-[[(cyanoamino)-(4-pyridylamino)methylene]amino]undecyl diethyl phosphate CAS Name: phosphoric acid 11-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]undecyl diethyl ester IUPAC Name: 11-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]undecyl diethyl phosphate Traditional Name: phosphoric acid 11-[[(cyanoamino)-(4-pyridylamino)methylene]amino]undecyl diethyl ester Formula: C22H38N5O4P MolecularWeight: 467.541981

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OCCCCCCCCCCCN=C(NC#N)NC1=CC=NC=C1

Isomeric SMILES

CCOP(=O)(OCC)OCCCCCCCCCCCN=C(NC#N)NC1=CC=NC=C1

InChI

InChI=1S/C22H38N5O4P/c1-3-29-32(28,30-4-2)31-19-13-11-9-7-5-6-8-10-12-16-25-22(26-20-23)27-21-14-17-24-18-15-21/h14-15,17-18H,3-13,16,19H2,1-2H3,(H2,24,25,26,27)