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

Systemtic Name: 4-methoxy-2-[(3R,4R)-4-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzoic acid Openeye Name: 2-[(3R,4R)-3-benzyl-4-hydroxy-chroman-7-yl]-4-methoxy-benzoic acid CAS Name: 2-[(3R,4R)-4-hydroxy-3-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]-4-methoxybenzoic acid IUPAC Name: 2-[(3R,4R)-3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]-4-methoxybenzoic acid Traditional Name: 2-[(3R,4R)-3-benzyl-4-hydroxy-chroman-7-yl]-4-methoxy-benzoic acid Formula: C24H22O5 MolecularWeight: 390.42848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(C(CO3)CC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)O)C2=CC3=C(C=C2)[C@@H]([C@@H](CO3)CC4=CC=CC=C4)O

InChI

InChI=1S/C24H22O5/c1-28-18-8-10-19(24(26)27)21(13-18)16-7-9-20-22(12-16)29-14-17(23(20)25)11-15-5-3-2-4-6-15/h2-10,12-13,17,23,25H,11,14H2,1H3,(H,26,27)/t17-,23-/m1/s1