methyl 3-[(2S)-2-methyl-7-oxidanyl-4-oxidanylidene-8-propyl-3H-chromen-2-yl]propanoate

Systemtic Name: methyl 3-[(2S)-2-methyl-7-oxidanyl-4-oxidanylidene-8-propyl-3H-chromen-2-yl]propanoate Openeye Name: methyl 3-[(2S)-7-hydroxy-2-methyl-4-oxo-8-propyl-chroman-2-yl]propanoate CAS Name: 3-[(2S)-7-hydroxy-2-methyl-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(2S)-7-hydroxy-2-methyl-4-oxo-8-propyl-3H-chromen-2-yl]propanoate Traditional Name: 3-[(2S)-7-hydroxy-4-keto-2-methyl-8-propyl-chroman-2-yl]propionic acid methyl ester Formula: C17H22O5 MolecularWeight: 306.35358

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2=O)(C)CCC(=O)OC)O

Isomeric SMILES

CCCC1=C(C=CC2=C1O[C@@](CC2=O)(C)CCC(=O)OC)O

InChI

InChI=1S/C17H22O5/c1-4-5-11-13(18)7-6-12-14(19)10-17(2,22-16(11)12)9-8-15(20)21-3/h6-7,18H,4-5,8-10H2,1-3H3/t17-/m0/s1