[(4E)-2-(hydroxymethyl)-4-[(1-methylindol-3-yl)methylidene]-5-oxidanylidene-oxolan-2-yl]methyl 2-propylpentanoate

Systemtic Name: [(4E)-2-(hydroxymethyl)-4-[(1-methylindol-3-yl)methylidene]-5-oxidanylidene-oxolan-2-yl]methyl 2-propylpentanoate Openeye Name: [(4E)-2-(hydroxymethyl)-4-[(1-methylindol-3-yl)methylene]-5-oxo-tetrahydrofuran-2-yl]methyl 2-propylpentanoate CAS Name: 2-propylpentanoic acid [(4E)-2-(hydroxymethyl)-4-[(1-methyl-3-indolyl)methylidene]-5-oxo-2-oxolanyl]methyl ester IUPAC Name: [(4E)-2-(hydroxymethyl)-4-[(1-methylindol-3-yl)methylidene]-5-oxooxolan-2-yl]methyl 2-propylpentanoate Traditional Name: 2-propylvaleric acid [(4E)-5-keto-4-[(1-methylindol-3-yl)methylene]-2-methylol-tetrahydrofuran-2-yl]methyl ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)OCC1(CC(=CC2=CN(C3=CC=CC=C32)C)C(=O)O1)CO

Isomeric SMILES

CCCC(CCC)C(=O)OCC1(C/C(=C\C2=CN(C3=CC=CC=C32)C)/C(=O)O1)CO

InChI

InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+