PDB CCD ID: | R63 |
Number of entries in BioLiP: | 16 |
Chemical formula: | C17 H18 N2 O4 |
InChI: | InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3 |
InChIKey: | GADIKQPUNWAMEB-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | CCc1c(ncc2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC | OpenEye OEToolkits 2.0.7 | CCc1c2c3cc(c(cc3[nH]c2cnc1C(=O)OC)OC)OC | ACDLabs 12.01 | O=C(OC)c1ncc2[NH]c3cc(OC)c(OC)cc3c2c1CC |
|
Name: | methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate |
ChEMBL: | CHEMBL1256850 |
ZINC: | ZINC000002516023 |