1-[(3S,4R)-4-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(3S,4R)-4-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]cyclohexane-1-carboxylic acid Openeye Name: 1-[(3S,4R)-3-benzyl-4-hydroxy-chroman-7-yl]cyclohexanecarboxylic acid CAS Name: 1-[(3S,4R)-4-hydroxy-3-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(3S,4R)-3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]cyclohexane-1-carboxylic acid Traditional Name: 1-[(3S,4R)-3-benzyl-4-hydroxy-chroman-7-yl]cyclohexanecarboxylic acid Formula: C23H26O4 MolecularWeight: 366.45014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC3=C(C=C2)C(C(CO3)CC4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)(C2=CC3=C(C=C2)[C@@H]([C@H](CO3)CC4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C23H26O4/c24-21-17(13-16-7-3-1-4-8-16)15-27-20-14-18(9-10-19(20)21)23(22(25)26)11-5-2-6-12-23/h1,3-4,7-10,14,17,21,24H,2,5-6,11-13,15H2,(H,25,26)/t17-,21+/m0/s1