[3-[[2-(2-chloranylethanoylamino)phenyl]methylcarbamoyl]-4-oxidanyl-naphthalen-1-yl] dioctyl phosphate

Systemtic Name: [3-[[2-(2-chloranylethanoylamino)phenyl]methylcarbamoyl]-4-oxidanyl-naphthalen-1-yl] dioctyl phosphate Openeye Name: [3-[[2-[(2-chloroacetyl)amino]phenyl]methylcarbamoyl]-4-hydroxy-1-naphthyl] dioctyl phosphate CAS Name: phosphoric acid [3-[[[2-[(2-chloro-1-oxoethyl)amino]phenyl]methylamino]-oxomethyl]-4-hydroxy-1-naphthalenyl] dioctyl ester IUPAC Name: [3-[[2-[(2-chloroacetyl)amino]phenyl]methylcarbamoyl]-4-hydroxynaphthalen-1-yl] dioctyl phosphate Traditional Name: phosphoric acid [3-[[2-[(2-chloroacetyl)amino]benzyl]carbamoyl]-4-hydroxy-1-naphthyl] dioctyl ester Formula: C36H50ClN2O7P MolecularWeight: 689.218161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOP(=O)(OCCCCCCCC)OC1=CC(=C(C2=CC=CC=C21)O)C(=O)NCC3=CC=CC=C3NC(=O)CCl

Isomeric SMILES

CCCCCCCCOP(=O)(OCCCCCCCC)OC1=CC(=C(C2=CC=CC=C21)O)C(=O)NCC3=CC=CC=C3NC(=O)CCl

InChI

InChI=1S/C36H50ClN2O7P/c1-3-5-7-9-11-17-23-44-47(43,45-24-18-12-10-8-6-4-2)46-33-25-31(35(41)30-21-15-14-20-29(30)33)36(42)38-27-28-19-13-16-22-32(28)39-34(40)26-37/h13-16,19-22,25,41H,3-12,17-18,23-24,26-27H2,1-2H3,(H,38,42)(H,39,40)