2-(1,3-benzodioxol-5-yl)-4-(3-methylbutyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-(3-methylbutyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-isopentyl-6-isopropoxy-2H-chromene-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(3-methylbutyl)-6-propan-2-yloxy-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(3-methylbutyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-isoamyl-6-isopropoxy-2H-chromene-3-carboxylic acid Formula: C25H28O6 MolecularWeight: 424.48622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CC(C)CCC1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C25H28O6/c1-14(2)5-8-18-19-12-17(30-15(3)4)7-10-20(19)31-24(23(18)25(26)27)16-6-9-21-22(11-16)29-13-28-21/h6-7,9-12,14-15,24H,5,8,13H2,1-4H3,(H,26,27)