ethyl 3-[6-[(4-cyanophenyl)methoxy]-2-methyl-4-oxidanyl-3,4-dihydrochromen-2-yl]propanoate

Systemtic Name: ethyl 3-[6-[(4-cyanophenyl)methoxy]-2-methyl-4-oxidanyl-3,4-dihydrochromen-2-yl]propanoate Openeye Name: ethyl 3-[6-[(4-cyanophenyl)methoxy]-4-hydroxy-2-methyl-chroman-2-yl]propanoate CAS Name: 3-[6-[(4-cyanophenyl)methoxy]-4-hydroxy-2-methyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-[(4-cyanophenyl)methoxy]-4-hydroxy-2-methyl-3,4-dihydrochromen-2-yl]propanoate Traditional Name: 3-[6-(4-cyanobenzyl)oxy-4-hydroxy-2-methyl-chroman-2-yl]propionic acid ethyl ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1(CC(C2=C(O1)C=CC(=C2)OCC3=CC=C(C=C3)C#N)O)C

Isomeric SMILES

CCOC(=O)CCC1(CC(C2=C(O1)C=CC(=C2)OCC3=CC=C(C=C3)C#N)O)C

InChI

InChI=1S/C23H25NO5/c1-3-27-22(26)10-11-23(2)13-20(25)19-12-18(8-9-21(19)29-23)28-15-17-6-4-16(14-24)5-7-17/h4-9,12,20,25H,3,10-11,13,15H2,1-2H3