[5-(5-indol-1-ylpentoxy)-4-oxidanylidene-pyran-2-yl]methyl benzoate

Systemtic Name: [5-(5-indol-1-ylpentoxy)-4-oxidanylidene-pyran-2-yl]methyl benzoate Openeye Name: [5-(5-indol-1-ylpentoxy)-4-oxo-pyran-2-yl]methyl benzoate CAS Name: benzoic acid [5-[5-(1-indolyl)pentoxy]-4-oxo-2-pyranyl]methyl ester IUPAC Name: [5-(5-indol-1-ylpentoxy)-4-oxopyran-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(5-indol-1-ylpentoxy)-4-keto-pyran-2-yl]methyl ester Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=CC(=O)C(=CO2)OCCCCCN3C=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=CC(=O)C(=CO2)OCCCCCN3C=CC4=CC=CC=C43

InChI

InChI=1S/C26H25NO5/c28-24-17-22(18-32-26(29)21-10-3-1-4-11-21)31-19-25(24)30-16-8-2-7-14-27-15-13-20-9-5-6-12-23(20)27/h1,3-6,9-13,15,17,19H,2,7-8,14,16,18H2