[5-azanyl-6-bromanyl-3,4-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [5-azanyl-6-bromanyl-3,4-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: (5-amino-3,4-dibenzoyloxy-6-bromo-tetrahydropyran-2-yl)methyl benzoate CAS Name: benzoic acid (5-amino-3,4-dibenzoyloxy-6-bromo-2-oxanyl)methyl ester IUPAC Name: (5-amino-3,4-dibenzoyloxy-6-bromooxan-2-yl)methyl benzoate Traditional Name: benzoic acid (5-amino-3,4-dibenzoyloxy-6-bromo-tetrahydropyran-2-yl)methyl ester Formula: C27H24BrNO7 MolecularWeight: 554.38596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)Br)N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)Br)N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H24BrNO7/c28-24-21(29)23(36-27(32)19-14-8-3-9-15-19)22(35-26(31)18-12-6-2-7-13-18)20(34-24)16-33-25(30)17-10-4-1-5-11-17/h1-15,20-24H,16,29H2