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

Systemtic Name: 3-[(3S,4R)-4-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]propanoic acid Openeye Name: 3-[(3S,4R)-3-benzyl-4-hydroxy-chroman-7-yl]propanoic acid CAS Name: 3-[(3S,4R)-4-hydroxy-3-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]propanoic acid IUPAC Name: 3-[(3S,4R)-3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]propanoic acid Traditional Name: 3-[(3S,4R)-3-benzyl-4-hydroxy-chroman-7-yl]propionic acid Formula: C19H20O4 MolecularWeight: 312.3597

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C(O1)C=C(C=C2)CCC(=O)O)O)CC3=CC=CC=C3

Isomeric SMILES

C1[C@@H]([C@H](C2=C(O1)C=C(C=C2)CCC(=O)O)O)CC3=CC=CC=C3

InChI

InChI=1S/C19H20O4/c20-18(21)9-7-14-6-8-16-17(11-14)23-12-15(19(16)22)10-13-4-2-1-3-5-13/h1-6,8,11,15,19,22H,7,9-10,12H2,(H,20,21)/t15-,19+/m0/s1