PDB CCD ID: | A1LWJ |
Number of entries in BioLiP: | 1 |
Chemical formula: | C19 H14 O2 |
InChI: | InChI=1S/C19H14O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-11,18H,12H2/t18-/m1/s1 |
InChIKey: | XTWSWGKXWMYSLP-GOSISDBHSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | O=C1C[CH](Oc2ccc3ccccc3c12)c4ccccc4 | CACTVS 3.385 | O=C1C[C@@H](Oc2ccc3ccccc3c12)c4ccccc4 | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)[C@H]2CC(=O)c3c4ccccc4ccc3O2 | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)C2CC(=O)c3c4ccccc4ccc3O2 |
|
Name: | (3R)-3-phenyl-2,3-dihydrobenzo[f]chromen-1-one |