[4-bromanyl-2-[(E)-[2-(tetradecanoylamino)ethanoylhydrazinylidene]methyl]phenyl] benzoate

Systemtic Name: [4-bromanyl-2-[(E)-[2-(tetradecanoylamino)ethanoylhydrazinylidene]methyl]phenyl] benzoate Openeye Name: [4-bromo-2-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazono]methyl]phenyl] benzoate CAS Name: benzoic acid [4-bromo-2-[(E)-[[1-oxo-2-(1-oxotetradecylamino)ethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate Traditional Name: benzoic acid [4-bromo-2-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazono]methyl]phenyl] ester Formula: C30H40BrN3O4 MolecularWeight: 586.5603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40BrN3O4/c1-2-3-4-5-6-7-8-9-10-11-15-18-28(35)32-23-29(36)34-33-22-25-21-26(31)19-20-27(25)38-30(37)24-16-13-12-14-17-24/h12-14,16-17,19-22H,2-11,15,18,23H2,1H3,(H,32,35)(H,34,36)/b33-22+