2-[(3S,4R)-3-[(3-methoxyphenyl)methyl]-4-oxidanyl-3,4-dihydro-2H-chromen-7-yl]propanoic acid

Systemtic Name: 2-[(3S,4R)-3-[(3-methoxyphenyl)methyl]-4-oxidanyl-3,4-dihydro-2H-chromen-7-yl]propanoic acid Openeye Name: 2-[(3S,4R)-4-hydroxy-3-[(3-methoxyphenyl)methyl]chroman-7-yl]propanoic acid CAS Name: 2-[(3S,4R)-4-hydroxy-3-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl]propanoic acid IUPAC Name: 2-[(3S,4R)-4-hydroxy-3-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid Traditional Name: 2-[(3S,4R)-4-hydroxy-3-m-anisyl-chroman-7-yl]propionic acid Formula: C20H22O5 MolecularWeight: 342.38568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C(C(CO2)CC3=CC(=CC=C3)OC)O)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)[C@@H]([C@H](CO2)CC3=CC(=CC=C3)OC)O)C(=O)O

InChI

InChI=1S/C20H22O5/c1-12(20(22)23)14-6-7-17-18(10-14)25-11-15(19(17)21)8-13-4-3-5-16(9-13)24-2/h3-7,9-10,12,15,19,21H,8,11H2,1-2H3,(H,22,23)/t12?,15-,19+/m0/s1