7-[3-(4-ethanoyl-3-methoxy-2-prop-2-enyl-phenoxy)propoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 7-[3-(4-ethanoyl-3-methoxy-2-prop-2-enyl-phenoxy)propoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 7-[3-(4-acetyl-2-allyl-3-methoxy-phenoxy)propoxy]chromane-2-carboxylic acid CAS Name: 7-[3-(4-acetyl-3-methoxy-2-prop-2-enylphenoxy)propoxy]-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-(4-acetyl-3-methoxy-2-prop-2-enylphenoxy)propoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 7-[3-(4-acetyl-2-allyl-3-methoxy-phenoxy)propoxy]chroman-2-carboxylic acid Formula: C25H28O7 MolecularWeight: 440.48562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1)OCCCOC2=CC3=C(CCC(O3)C(=O)O)C=C2)CC=C)OC

Isomeric SMILES

CC(=O)C1=C(C(=C(C=C1)OCCCOC2=CC3=C(CCC(O3)C(=O)O)C=C2)CC=C)OC

InChI

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