A6O
Summary
Name: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one |
Formula: | C20 H26 O3 |
Formal charge: | 0 |
Formula weight: | 314.419 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | (2~{R},3~{S})-2-ethyl-2-[(2~{E})-2-(6-methoxy-3,4-dihydro-2~{H}-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H26O3/c1-3-20(18(21)9-10-19(20)22)12-11-14-5-4-6-15-13-16(23-2)7-8-17(14)15/h7-8,11,13,18,21H,3-6,9-10,12H2,1-2H3/b14-11+/t18-,20+/m0/s1 |
InChIKey | InChI | 1.03 | ZXYHLOFRRMDJAQ-OUBQQWGRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@]1(C/C=C/2CCCc3cc(OC)ccc/23)[C@@H](O)CCC1=O |
SMILES | CACTVS | 3.385 | CC[C]1(CC=C2CCCc3cc(OC)ccc23)[CH](O)CCC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@]1([C@H](CCC1=O)O)C/C=C/2\CCCc3c2ccc(c3)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC1(C(CCC1=O)O)CC=C2CCCc3c2ccc(c3)OC |