7-[3-[4-(1,2-benzoxazol-3-yl)-2-propyl-phenoxy]propoxy]-2-ethyl-3,4-dihydrochromene-2-carboxylic acid

Systemtic Name: 7-[3-[4-(1,2-benzoxazol-3-yl)-2-propyl-phenoxy]propoxy]-2-ethyl-3,4-dihydrochromene-2-carboxylic acid Openeye Name: 7-[3-[4-(1,2-benzoxazol-3-yl)-2-propyl-phenoxy]propoxy]-2-ethyl-chromane-2-carboxylic acid CAS Name: 7-[3-[4-(1,2-benzoxazol-3-yl)-2-propylphenoxy]propoxy]-2-ethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-[4-(1,2-benzoxazol-3-yl)-2-propylphenoxy]propoxy]-2-ethyl-3,4-dihydrochromene-2-carboxylic acid Traditional Name: 2-ethyl-7-[3-(4-indoxazen-3-yl-2-propyl-phenoxy)propoxy]chroman-2-carboxylic acid Formula: C31H33NO6 MolecularWeight: 515.59682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C2=NOC3=CC=CC=C32)OCCCOC4=CC5=C(CCC(O5)(CC)C(=O)O)C=C4

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2=NOC3=CC=CC=C32)OCCCOC4=CC5=C(CCC(O5)(CC)C(=O)O)C=C4

InChI

InChI=1S/C31H33NO6/c1-3-8-22-19-23(29-25-9-5-6-10-27(25)38-32-29)12-14-26(22)36-18-7-17-35-24-13-11-21-15-16-31(4-2,30(33)34)37-28(21)20-24/h5-6,9-14,19-20H,3-4,7-8,15-18H2,1-2H3,(H,33,34)