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

Systemtic Name: 1-[(3S,4R)-4-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]cyclobutane-1-carboxylic acid Openeye Name: 1-[(3S,4R)-3-benzyl-4-hydroxy-chroman-7-yl]cyclobutanecarboxylic acid CAS Name: 1-[(3S,4R)-4-hydroxy-3-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]-1-cyclobutanecarboxylic acid IUPAC Name: 1-[(3S,4R)-3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]cyclobutane-1-carboxylic acid Traditional Name: 1-[(3S,4R)-3-benzyl-4-hydroxy-chroman-7-yl]cyclobutanecarboxylic acid Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C2=CC3=C(C=C2)C(C(CO3)CC4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

C1CC(C1)(C2=CC3=C(C=C2)[C@@H]([C@H](CO3)CC4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C21H22O4/c22-19-15(11-14-5-2-1-3-6-14)13-25-18-12-16(7-8-17(18)19)21(20(23)24)9-4-10-21/h1-3,5-8,12,15,19,22H,4,9-11,13H2,(H,23,24)/t15-,19+/m0/s1