(3S,5S)-3,5-bis[(4-pyrrol-1-ylphenyl)methyl]oxane-2,6-dione

Systemtic Name: (3S,5S)-3,5-bis[(4-pyrrol-1-ylphenyl)methyl]oxane-2,6-dione Openeye Name: (3S,5S)-3,5-bis[(4-pyrrol-1-ylphenyl)methyl]tetrahydropyran-2,6-dione CAS Name: (3S,5S)-3,5-bis[[4-(1-pyrrolyl)phenyl]methyl]oxane-2,6-dione IUPAC Name: (3S,5S)-3,5-bis[(4-pyrrol-1-ylphenyl)methyl]oxane-2,6-dione Traditional Name: (3S,5S)-3,5-bis(4-pyrrol-1-ylbenzyl)tetrahydropyran-2,6-quinone Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)OC(=O)C1CC2=CC=C(C=C2)N3C=CC=C3)CC4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

C1[C@H](C(=O)OC(=O)[C@@H]1CC2=CC=C(C=C2)N3C=CC=C3)CC4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C27H24N2O3/c30-26-22(17-20-5-9-24(10-6-20)28-13-1-2-14-28)19-23(27(31)32-26)18-21-7-11-25(12-8-21)29-15-3-4-16-29/h1-16,22-23H,17-19H2/t22-,23-/m1/s1