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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=NC(=C(S3)C(=O)O)C4=CC=CC=C4)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(27(37-28)29(33)34)19-7-3-1-4-8-19/h1-10,12,14-15,22,24,30,32H,11,13,16-18H2,(H,33,34)