2-(5-decanoyl-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethanoic acid

Systemtic Name: 2-(5-decanoyl-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethanoic acid Openeye Name: 2-(5-decanoyl-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)acetic acid CAS Name: 2-[6-methyl-5-(1-oxodecyl)-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid IUPAC Name: 2-(5-decanoyl-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)acetic acid Traditional Name: 2-(5-capryl-6-methyl-[1,3]dioxol[4,5-f]indol-7-yl)acetic acid Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)N1C(=C(C2=CC3=C(C=C21)OCO3)CC(=O)O)C

Isomeric SMILES

CCCCCCCCCC(=O)N1C(=C(C2=CC3=C(C=C21)OCO3)CC(=O)O)C

InChI

InChI=1S/C22H29NO5/c1-3-4-5-6-7-8-9-10-21(24)23-15(2)16(12-22(25)26)17-11-19-20(13-18(17)23)28-14-27-19/h11,13H,3-10,12,14H2,1-2H3,(H,25,26)