[4-bromanyl-2-[(E)-[2-(tetradecanoylamino)ethanoylhydrazinylidene]methyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-[2-(tetradecanoylamino)ethanoylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Openeye Name: [4-bromo-2-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazono]methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic 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] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-bromo-2-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazono]methyl]phenyl] ester Formula: C31H42BrN3O4 MolecularWeight: 600.58688

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C31H42BrN3O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-29(36)33-23-30(37)35-34-22-26-21-27(32)18-19-28(26)39-31(38)25-16-14-15-24(2)20-25/h14-16,18-22H,3-13,17,23H2,1-2H3,(H,33,36)(H,35,37)/b34-22+