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

Systemtic Name: [4-bromanyl-2-[(E)-[2-(dodecanoylamino)ethanoylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Openeye Name: [4-bromo-2-[(E)-[[2-(dodecanoylamino)acetyl]hydrazono]methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-bromo-2-[(E)-[[1-oxo-2-(1-oxododecylamino)ethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-bromo-2-[(E)-[[2-(lauroylamino)acetyl]hydrazono]methyl]phenyl] ester Formula: C29H38BrN3O4 MolecularWeight: 572.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38BrN3O4/c1-3-4-5-6-7-8-9-10-11-15-27(34)31-21-28(35)33-32-20-24-19-25(30)16-17-26(24)37-29(36)23-14-12-13-22(2)18-23/h12-14,16-20H,3-11,15,21H2,1-2H3,(H,31,34)(H,33,35)/b32-20+