Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | TVIDEEHSOPHZBR-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)C(O)=O |
SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(cc1)C(=O)c2ccccc2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(=O)c2ccc(cc2)C[C@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(=O)c2ccc(cc2)CC(C(=O)O)N |