[4-bromanyl-2-[(E)-[2-(decanoylamino)ethanoylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate

Systemtic Name: [4-bromanyl-2-[(E)-[2-(decanoylamino)ethanoylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate Openeye Name: [4-bromo-2-[(E)-[[2-(decanoylamino)acetyl]hydrazono]methyl]phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-bromo-2-[(E)-[[1-oxo-2-(1-oxodecylamino)ethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-bromo-2-[(E)-[[2-(caprylamino)acetyl]hydrazono]methyl]phenyl] ester Formula: C29H38BrN3O5 MolecularWeight: 588.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NCC(=O)NN=CC1=C(C=CC(=C1)Br)OC(=O)C2=CC=C(C=C2)OCCC

Isomeric SMILES

CCCCCCCCCC(=O)NCC(=O)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)C2=CC=C(C=C2)OCCC

InChI

InChI=1S/C29H38BrN3O5/c1-3-5-6-7-8-9-10-11-27(34)31-21-28(35)33-32-20-23-19-24(30)14-17-26(23)38-29(36)22-12-15-25(16-13-22)37-18-4-2/h12-17,19-20H,3-11,18,21H2,1-2H3,(H,31,34)(H,33,35)/b32-20+