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

Systemtic Name: 1,5-dimethyl-4-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]pyrazole-3-carboxylic acid Openeye Name: 4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]-1,5-dimethyl-pyrazole-3-carboxylic acid CAS Name: 4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-1,5-dimethyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-1,5-dimethylpyrazole-3-carboxylic acid Traditional Name: 4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]-1,5-dimethyl-pyrazole-3-carboxylic acid Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)O)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)O)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O

InChI

InChI=1S/C25H29N3O5/c1-16-23(24(25(30)31)27-28(16)2)18-9-11-22-17(12-18)8-10-21(33-22)14-26-13-19(29)15-32-20-6-4-3-5-7-20/h3-7,9,11-12,19,21,26,29H,8,10,13-15H2,1-2H3,(H,30,31)