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

Systemtic Name: 1-[(3S,4R)-4-oxidanyl-3-(quinolin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]cyclopentane-1-carboxylic acid Openeye Name: 1-[(3S,4R)-4-hydroxy-3-(2-quinolylmethyl)chroman-7-yl]cyclopentanecarboxylic acid CAS Name: 1-[(3S,4R)-4-hydroxy-3-(2-quinolinylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[(3S,4R)-4-hydroxy-3-(quinolin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]cyclopentane-1-carboxylic acid Traditional Name: 1-[(3S,4R)-4-hydroxy-3-(2-quinolylmethyl)chroman-7-yl]cyclopentanecarboxylic acid Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC3=C(C=C2)C(C(CO3)CC4=NC5=CC=CC=C5C=C4)O)C(=O)O

Isomeric SMILES

C1CCC(C1)(C2=CC3=C(C=C2)[C@@H]([C@H](CO3)CC4=NC5=CC=CC=C5C=C4)O)C(=O)O

InChI

InChI=1S/C25H25NO4/c27-23-17(13-19-9-7-16-5-1-2-6-21(16)26-19)15-30-22-14-18(8-10-20(22)23)25(24(28)29)11-3-4-12-25/h1-2,5-10,14,17,23,27H,3-4,11-13,15H2,(H,28,29)/t17-,23+/m0/s1