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

Systemtic Name: 2-[6-[(4-cyanophenyl)methoxy]-2-methyl-4-oxidanyl-3,4-dihydrochromen-2-yl]propanoate Openeye Name: 2-[6-[(4-cyanophenyl)methoxy]-4-hydroxy-2-methyl-chroman-2-yl]propanoate CAS Name: 2-[6-[(4-cyanophenyl)methoxy]-4-hydroxy-2-methyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoate IUPAC Name: 2-[6-[(4-cyanophenyl)methoxy]-4-hydroxy-2-methyl-3,4-dihydrochromen-2-yl]propanoate Traditional Name: 2-[6-(4-cyanobenzyl)oxy-4-hydroxy-2-methyl-chroman-2-yl]propionate Formula: C21H20NO5- MolecularWeight: 366.3872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])C1(CC(C2=C(O1)C=CC(=C2)OCC3=CC=C(C=C3)C#N)O)C

Isomeric SMILES

CC(C(=O)[O-])C1(CC(C2=C(O1)C=CC(=C2)OCC3=CC=C(C=C3)C#N)O)C

InChI

InChI=1S/C21H21NO5/c1-13(20(24)25)21(2)10-18(23)17-9-16(7-8-19(17)27-21)26-12-15-5-3-14(11-22)4-6-15/h3-9,13,18,23H,10,12H2,1-2H3,(H,24,25)/p-1