7-[3-[4-(1H-imidazol-5-yl)-3-methoxy-2-propyl-phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 7-[3-[4-(1H-imidazol-5-yl)-3-methoxy-2-propyl-phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 7-[3-[4-(1H-imidazol-5-yl)-3-methoxy-2-propyl-phenoxy]propoxy]-8-propyl-chromane-2-carboxylic acid CAS Name: 7-[3-[4-(1H-imidazol-5-yl)-3-methoxy-2-propylphenoxy]propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-[4-(1H-imidazol-5-yl)-3-methoxy-2-propylphenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 7-[3-[4-(1H-imidazol-5-yl)-3-methoxy-2-propyl-phenoxy]propoxy]-8-propyl-chroman-2-carboxylic acid Formula: C29H36N2O6 MolecularWeight: 508.60594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C4=CN=CN4)OC)CCC

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C4=CN=CN4)OC)CCC

InChI

InChI=1S/C29H36N2O6/c1-4-7-21-24(12-9-19-10-13-26(29(32)33)37-27(19)21)35-15-6-16-36-25-14-11-20(23-17-30-18-31-23)28(34-3)22(25)8-5-2/h9,11-12,14,17-18,26H,4-8,10,13,15-16H2,1-3H3,(H,30,31)(H,32,33)