CUP
Summary
| Name: | (N-SALICYLIDEN-L-PHENYLALANATO)-COPPER(II) |
| Formula: | C16 H13 Cu N O3 |
| Formal charge: | 0 |
| Formula weight: | 330.825 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (6~{S})-6-(phenylmethyl)-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H15NO3.Cu/c18-15-9-5-4-8-13(15)11-17-14(16(19)20)10-12-6-2-1-3-7-12;/h1-9,11,14,18H,10H2,(H,19,20);/q;+2/p-2/b17-11+;/t14-;/m0./s1 |
| InChIKey | InChI | 1.06 | YEXSLHMEGKWMMU-VNKRLIBXSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1O[Cu]Oc2ccccc2C=N[C@H]1Cc3ccccc3 |
| SMILES | CACTVS | 3.385 | O=C1O[Cu]Oc2ccccc2C=N[CH]1Cc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[C@H]2C(=O)O[Cu]3[N]2=Cc4ccccc4O3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2C(=O)O[Cu]3[N]2=Cc4ccccc4O3 |
