PDB CCD ID: | VU2 |
Number of entries in BioLiP: | 11 |
Chemical formula: | C15 H16 Cl N O |
InChI: | InChI=1S/C15H16ClNO/c16-14-8-6-12(7-9-14)11-18-15(10-17)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2/t15-/m1/s1 |
InChIKey: | KFVPLCBTGAXYHI-OAHLLOKOSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.6.1 | c1ccc(cc1)[C@@H](CN)OCc2ccc(cc2)Cl | ACDLabs 10.04 | Clc1ccc(cc1)COC(c2ccccc2)CN | CACTVS 3.352 | NC[C@@H](OCc1ccc(Cl)cc1)c2ccccc2 | CACTVS 3.352 | NC[CH](OCc1ccc(Cl)cc1)c2ccccc2 | OpenEye OEToolkits 1.6.1 | c1ccc(cc1)C(CN)OCc2ccc(cc2)Cl |
|
Name: | (2S)-2-[(4-CHLOROBENZYL)OXY]-2-PHENYLETHANAMINE |