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

Systemtic Name: [4-bromanyl-2-[(E)-[2-(decanoylamino)ethanoylhydrazinylidene]methyl]phenyl] 4-methylbenzoate Openeye Name: [4-bromo-2-[(E)-[[2-(decanoylamino)acetyl]hydrazono]methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-bromo-2-[(E)-[[2-(caprylamino)acetyl]hydrazono]methyl]phenyl] ester Formula: C27H34BrN3O4 MolecularWeight: 544.48056

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H34BrN3O4/c1-3-4-5-6-7-8-9-10-25(32)29-19-26(33)31-30-18-22-17-23(28)15-16-24(22)35-27(34)21-13-11-20(2)12-14-21/h11-18H,3-10,19H2,1-2H3,(H,29,32)(H,31,33)/b30-18+