[(2R,3R,4R,6S)-3-[[3,5-bis(chloranyl)-1H-pyrrol-2-yl]carbonylamino]-6-methoxy-2-methyl-oxan-4-yl] 4-bromanylbenzoate

Systemtic Name: [(2R,3R,4R,6S)-3-[[3,5-bis(chloranyl)-1H-pyrrol-2-yl]carbonylamino]-6-methoxy-2-methyl-oxan-4-yl] 4-bromanylbenzoate Openeye Name: [(2R,3R,4R,6S)-3-[(3,5-dichloro-1H-pyrrole-2-carbonyl)amino]-6-methoxy-2-methyl-tetrahydropyran-4-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2R,3R,4R,6S)-3-[[(3,5-dichloro-1H-pyrrol-2-yl)-oxomethyl]amino]-6-methoxy-2-methyl-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,6S)-3-[(3,5-dichloro-1H-pyrrole-2-carbonyl)amino]-6-methoxy-2-methyloxan-4-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(2R,3R,4R,6S)-3-[(3,5-dichloro-1H-pyrrole-2-carbonyl)amino]-6-methoxy-2-methyl-tetrahydropyran-4-yl] ester Formula: C19H19BrCl2N2O5 MolecularWeight: 506.17456

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC)OC(=O)C2=CC=C(C=C2)Br)NC(=O)C3=C(C=C(N3)Cl)Cl

Isomeric SMILES

C[C@@H]1[C@H]([C@@H](C[C@H](O1)OC)OC(=O)C2=CC=C(C=C2)Br)NC(=O)C3=C(C=C(N3)Cl)Cl

InChI

InChI=1S/C19H19BrCl2N2O5/c1-9-16(24-18(25)17-12(21)7-14(22)23-17)13(8-15(27-2)28-9)29-19(26)10-3-5-11(20)6-4-10/h3-7,9,13,15-16,23H,8H2,1-2H3,(H,24,25)/t9-,13-,15+,16-/m1/s1