[(3S,4R)-6-cyano-2,2-bis(methoxymethyl)-4-[(1-methyl-6-oxidanylidene-pyridazin-3-yl)amino]-3,4-dihydrochromen-3-yl] 4-bromanylbenzoate

Systemtic Name: [(3S,4R)-6-cyano-2,2-bis(methoxymethyl)-4-[(1-methyl-6-oxidanylidene-pyridazin-3-yl)amino]-3,4-dihydrochromen-3-yl] 4-bromanylbenzoate Openeye Name: [(3S,4R)-6-cyano-2,2-bis(methoxymethyl)-4-[(1-methyl-6-oxo-pyridazin-3-yl)amino]chroman-3-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(3S,4R)-6-cyano-2,2-bis(methoxymethyl)-4-[(1-methyl-6-oxo-3-pyridazinyl)amino]-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(3S,4R)-6-cyano-2,2-bis(methoxymethyl)-4-[(1-methyl-6-oxopyridazin-3-yl)amino]-3,4-dihydrochromen-3-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(3S,4R)-6-cyano-4-[(6-keto-1-methyl-pyridazin-3-yl)amino]-2,2-bis(methoxymethyl)chroman-3-yl] ester Formula: C26H25BrN4O6 MolecularWeight: 569.4039

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)NC2C(C(OC3=C2C=C(C=C3)C#N)(COC)COC)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C(=O)C=CC(=N1)N[C@H]2[C@@H](C(OC3=C2C=C(C=C3)C#N)(COC)COC)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H25BrN4O6/c1-31-22(32)11-10-21(30-31)29-23-19-12-16(13-28)4-9-20(19)37-26(14-34-2,15-35-3)24(23)36-25(33)17-5-7-18(27)8-6-17/h4-12,23-24H,14-15H2,1-3H3,(H,29,30)/t23-,24+/m1/s1