Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(C(CC(c1onc(n1)Cc2ccc(cc2)C(=O)OC)CCCC)=O)O |
InChI | InChI | 1.03 | InChI=1S/C18H23N3O5/c1-3-4-5-14(11-16(22)20-24)17-19-15(21-26-17)10-12-6-8-13(9-7-12)18(23)25-2/h6-9,14,24H,3-5,10-11H2,1-2H3,(H,20,22)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | PKBQPXFVXNPVJM-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H](CC(=O)NO)c1onc(Cc2ccc(cc2)C(=O)OC)n1 |
SMILES | CACTVS | 3.385 | CCCC[CH](CC(=O)NO)c1onc(Cc2ccc(cc2)C(=O)OC)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)C(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.4 | CCCCC(CC(=O)NO)c1nc(no1)Cc2ccc(cc2)C(=O)OC |