2-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-5-phenyl-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-5-phenyl-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]-5-phenyl-thiazole-4-carboxylic acid CAS Name: 2-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-5-phenyl-4-thiazolecarboxylic acid IUPAC Name: 2-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-5-phenyl-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]-5-phenyl-thiazole-4-carboxylic acid Formula: C29H28N2O5S MolecularWeight: 516.60802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C3=NC(=C(S3)C4=CC=CC=C4)C(=O)O)OC1CNCC(COC5=CC=CC=C5)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=NC(=C(S3)C4=CC=CC=C4)C(=O)O)OC1CNCC(COC5=CC=CC=C5)O

InChI

InChI=1S/C29H28N2O5S/c32-22(18-35-23-9-5-2-6-10-23)16-30-17-24-13-11-20-15-21(12-14-25(20)36-24)28-31-26(29(33)34)27(37-28)19-7-3-1-4-8-19/h1-10,12,14-15,22,24,30,32H,11,13,16-18H2,(H,33,34)