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

Systemtic Name: 7-[3-(4-aminocarbonyl-3-methoxy-2-propyl-phenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 7-[3-(4-carbamoyl-3-methoxy-2-propyl-phenoxy)propoxy]-8-propyl-chromane-2-carboxylic acid CAS Name: 7-[3-(4-carbamoyl-3-methoxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-(4-carbamoyl-3-methoxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 7-[3-(4-carbamoyl-3-methoxy-2-propyl-phenoxy)propoxy]-8-propyl-chroman-2-carboxylic acid Formula: C27H35NO7 MolecularWeight: 485.5693

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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)C(=O)N)OC)CCC

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)N)OC)CCC

InChI

InChI=1S/C27H35NO7/c1-4-7-18-21(12-9-17-10-13-23(27(30)31)35-24(17)18)33-15-6-16-34-22-14-11-20(26(28)29)25(32-3)19(22)8-5-2/h9,11-12,14,23H,4-8,10,13,15-16H2,1-3H3,(H2,28,29)(H,30,31)