3-[3-(4-ethanoyl-3-methoxy-2-prop-2-enyl-phenoxy)propoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 3-[3-(4-ethanoyl-3-methoxy-2-prop-2-enyl-phenoxy)propoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 3-[3-(4-acetyl-2-allyl-3-methoxy-phenoxy)propoxy]chromane-2-carboxylic acid CAS Name: 3-[3-(4-acetyl-3-methoxy-2-prop-2-enylphenoxy)propoxy]-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 3-[3-(4-acetyl-3-methoxy-2-prop-2-enylphenoxy)propoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 3-[3-(4-acetyl-2-allyl-3-methoxy-phenoxy)propoxy]chroman-2-carboxylic acid Formula: C25H28O7 MolecularWeight: 440.48562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1)OCCCOC2CC3=CC=CC=C3OC2C(=O)O)CC=C)OC

Isomeric SMILES

CC(=O)C1=C(C(=C(C=C1)OCCCOC2CC3=CC=CC=C3OC2C(=O)O)CC=C)OC

InChI

InChI=1S/C25H28O7/c1-4-8-19-21(12-11-18(16(2)26)23(19)29-3)30-13-7-14-31-22-15-17-9-5-6-10-20(17)32-24(22)25(27)28/h4-6,9-12,22,24H,1,7-8,13-15H2,2-3H3,(H,27,28)