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

Systemtic Name: 4-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]thiophene-2-carboxylic acid Openeye Name: 4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]thiophene-2-carboxylic acid CAS Name: 4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-2-thiophenecarboxylic acid IUPAC Name: 4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]thiophene-2-carboxylic acid Traditional Name: 4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]-2-thenoic acid Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C3=CSC(=C3)C(=O)O)OC1CNCC(COC4=CC=CC=C4)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=CSC(=C3)C(=O)O)OC1CNCC(COC4=CC=CC=C4)O

InChI

InChI=1S/C24H25NO5S/c26-19(14-29-20-4-2-1-3-5-20)12-25-13-21-8-6-17-10-16(7-9-22(17)30-21)18-11-23(24(27)28)31-15-18/h1-5,7,9-11,15,19,21,25-26H,6,8,12-14H2,(H,27,28)