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

Systemtic Name: ethyl 1,5-dimethyl-4-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]-1,5-dimethyl-pyrazole-3-carboxylate CAS Name: 4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-1,5-dimethyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-1,5-dimethylpyrazole-3-carboxylate Traditional Name: 4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]-1,5-dimethyl-pyrazole-3-carboxylic acid ethyl ester Formula: C27H33N3O5 MolecularWeight: 479.56802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O)C)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O)C)C

InChI

InChI=1S/C27H33N3O5/c1-4-33-27(32)26-25(18(2)30(3)29-26)20-11-13-24-19(14-20)10-12-23(35-24)16-28-15-21(31)17-34-22-8-6-5-7-9-22/h5-9,11,13-14,21,23,28,31H,4,10,12,15-17H2,1-3H3