3-[2-methyl-4-oxidanylidene-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-2-yl]propanoic acid

Systemtic Name: 3-[2-methyl-4-oxidanylidene-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-2-yl]propanoic acid Openeye Name: 3-[2-methyl-4-oxo-7-[[3-(2-quinolylmethoxy)phenyl]methoxy]chroman-2-yl]propanoic acid CAS Name: 3-[2-methyl-4-oxo-7-[[3-(2-quinolinylmethoxy)phenyl]methoxy]-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[2-methyl-4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-2-yl]propanoic acid Traditional Name: 3-[4-keto-2-methyl-7-[3-(2-quinolylmethoxy)benzyl]oxy-chroman-2-yl]propionic acid Formula: C30H27NO6 MolecularWeight: 497.53848

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(O1)C=C(C=C2)OCC3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4)CCC(=O)O

Isomeric SMILES

CC1(CC(=O)C2=C(O1)C=C(C=C2)OCC3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4)CCC(=O)O

InChI

InChI=1S/C30H27NO6/c1-30(14-13-29(33)34)17-27(32)25-12-11-24(16-28(25)37-30)35-18-20-5-4-7-23(15-20)36-19-22-10-9-21-6-2-3-8-26(21)31-22/h2-12,15-16H,13-14,17-19H2,1H3,(H,33,34)