[2-bromanyl-6-methoxy-4-[[[(3S,4S)-2-oxidanylidene-4-phenyl-pyrrolidin-3-yl]carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzoate

Systemtic Name: [2-bromanyl-6-methoxy-4-[[[(3S,4S)-2-oxidanylidene-4-phenyl-pyrrolidin-3-yl]carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzoate Openeye Name: [2-bromo-6-methoxy-4-[[[(3S,4S)-2-oxo-4-phenyl-pyrrolidine-3-carbonyl]hydrazono]methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-bromo-6-methoxy-4-[[[oxo-[(3S,4S)-2-oxo-4-phenyl-3-pyrrolidinyl]methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-[[[(3S,4S)-2-oxo-4-phenylpyrrolidine-3-carbonyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-bromo-4-[[[(3S,4S)-2-keto-4-phenyl-pyrrolidine-3-carbonyl]hydrazono]methyl]-6-methoxy-phenyl] ester Formula: C27H24BrN3O5 MolecularWeight: 550.40056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C=NNC(=O)C3C(CNC3=O)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C=NNC(=O)[C@H]3[C@H](CNC3=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H24BrN3O5/c1-16-8-10-19(11-9-16)27(34)36-24-21(28)12-17(13-22(24)35-2)14-30-31-26(33)23-20(15-29-25(23)32)18-6-4-3-5-7-18/h3-14,20,23H,15H2,1-2H3,(H,29,32)(H,31,33)/t20-,23+/m1/s1