[4,5-bis(oxidanyl)-2-(3-propylindol-1-yl)oxan-3-yl] benzoate

Systemtic Name: [4,5-bis(oxidanyl)-2-(3-propylindol-1-yl)oxan-3-yl] benzoate Openeye Name: [4,5-dihydroxy-2-(3-propylindol-1-yl)tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [4,5-dihydroxy-2-(3-propyl-1-indolyl)-3-oxanyl] ester IUPAC Name: [4,5-dihydroxy-2-(3-propylindol-1-yl)oxan-3-yl] benzoate Traditional Name: benzoic acid [4,5-dihydroxy-2-(3-propylindol-1-yl)tetrahydropyran-3-yl] ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=CC=CC=C21)C3C(C(C(CO3)O)O)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CN(C2=CC=CC=C21)C3C(C(C(CO3)O)O)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25NO5/c1-2-8-16-13-24(18-12-7-6-11-17(16)18)22-21(20(26)19(25)14-28-22)29-23(27)15-9-4-3-5-10-15/h3-7,9-13,19-22,25-26H,2,8,14H2,1H3