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

Systemtic Name: 2-ethyl-2-[(3S,4R)-4-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]butanoic acid Openeye Name: 2-[(3S,4R)-3-benzyl-4-hydroxy-chroman-7-yl]-2-ethyl-butanoic acid CAS Name: 2-ethyl-2-[(3S,4R)-4-hydroxy-3-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]butanoic acid IUPAC Name: 2-[(3S,4R)-3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]-2-ethylbutanoic acid Traditional Name: 2-[(3S,4R)-3-benzyl-4-hydroxy-chroman-7-yl]-2-ethyl-butyric acid Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O4/c1-3-22(4-2,21(24)25)17-10-11-18-19(13-17)26-14-16(20(18)23)12-15-8-6-5-7-9-15/h5-11,13,16,20,23H,3-4,12,14H2,1-2H3,(H,24,25)/t16-,20+/m0/s1