4-[2-[[7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-2-yl]carbonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[[7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-2-yl]carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[[7-(2-quinolylmethoxy)chromane-2-carbonyl]amino]ethyl]benzoic acid CAS Name: 4-[2-[[oxo-[7-(2-quinolinylmethoxy)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[[7-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carbonyl]amino]ethyl]benzoic acid Traditional Name: 4-[2-[[7-(2-quinolylmethoxy)chroman-2-carbonyl]amino]ethyl]benzoic acid Formula: C29H26N2O5 MolecularWeight: 482.52714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)OC1C(=O)NCCC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CC2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)OC1C(=O)NCCC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C29H26N2O5/c32-28(30-16-15-19-5-7-22(8-6-19)29(33)34)26-14-11-21-10-13-24(17-27(21)36-26)35-18-23-12-9-20-3-1-2-4-25(20)31-23/h1-10,12-13,17,26H,11,14-16,18H2,(H,30,32)(H,33,34)