O3M
Summary
| Name: | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol |
| Formula: | C16 H17 N O |
| Formal charge: | 0 |
| Formula weight: | 239.312 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol |
| OpenEye OEToolkits | 2.0.6 | 4-(3,4-dihydro-1~{H}-isoquinolin-2-ylmethyl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(N1CCc2c(C1)cccc2)c3ccc(cc3)O |
| InChI | InChI | 1.03 | InChI=1S/C16H17NO/c18-16-7-5-13(6-8-16)11-17-10-9-14-3-1-2-4-15(14)12-17/h1-8,18H,9-12H2 |
| InChIKey | InChI | 1.03 | INQGOEXXFRCTEG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(CN2CCc3ccccc3C2)cc1 |
| SMILES | CACTVS | 3.385 | Oc1ccc(CN2CCc3ccccc3C2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CCN(C2)Cc3ccc(cc3)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CCN(C2)Cc3ccc(cc3)O |
