2-[3-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)propoxy]-3,4-dihydrochromene-2-carboxylic acid

Systemtic Name: 2-[3-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)propoxy]-3,4-dihydrochromene-2-carboxylic acid Openeye Name: 2-[3-(4-acetyl-3-methoxy-2-propyl-phenoxy)propoxy]chromane-2-carboxylic acid CAS Name: 2-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 2-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-3,4-dihydrochromene-2-carboxylic acid Traditional Name: 2-[3-(4-acetyl-3-methoxy-2-propyl-phenoxy)propoxy]chroman-2-carboxylic acid Formula: C25H30O7 MolecularWeight: 442.5015

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC)C(=O)C)OCCCOC2(CCC3=CC=CC=C3O2)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1OC)C(=O)C)OCCCOC2(CCC3=CC=CC=C3O2)C(=O)O

InChI

InChI=1S/C25H30O7/c1-4-8-20-22(12-11-19(17(2)26)23(20)29-3)30-15-7-16-31-25(24(27)28)14-13-18-9-5-6-10-21(18)32-25/h5-6,9-12H,4,7-8,13-16H2,1-3H3,(H,27,28)