LO9
Summary
Name: | 7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole |
Formula: | C18 H16 N2 O3 |
Formal charge: | 0 |
Formula weight: | 308.331 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C18H16N2O3/c1-21-15-5-12(6-16(7-15)22-2)9-20-10-14-4-3-13-8-19-23-18(13)17(14)11-20/h3-8,10-11H,9H2,1-2H3 |
InChIKey | InChI | 1.06 | GVTUEXALHVXNOH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(Cn2cc3ccc4cnoc4c3c2)cc(OC)c1 |
SMILES | CACTVS | 3.385 | COc1cc(Cn2cc3ccc4cnoc4c3c2)cc(OC)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1)OC)Cn2cc3ccc4cnoc4c3c2 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1)OC)Cn2cc3ccc4cnoc4c3c2 |